When starting a protein-crystallization project, scientists are faced with several unknowns. Amongst them are these questions: (i) is the purity of the starting material sufficient? and (ii) which type of crystallization experiment is the most promising to conduct? The difficulty in purifying active membrane-protein samples for crystallization trials and the high costs associated with producing...

Elucidating and clarifying the function of membrane proteins ultimately requires atomic resolution structures as determined most commonly by X-ray crystallography. Many high impact membrane protein structures have resulted from advanced techniques such as in meso crystallization that present technical difficulties for the set-up and scale-out of high-throughput crystallization experiments. In p...

The molecular-level details of crystallization remain unclear for many systems. Previous work has speculated on the phenomenological similarities between molecular crystallization and protein folding. Here we demonstrate that molecular crystallization can involve funnel-shaped potential energy landscapes through a detailed analysis of mixed gas hydrate nucleation, a prototypical multicomponent ...

A database application has been developed for the collection of crystallographic information. This database (the BDP) has been populated with the information found in the Protein Data Bank (PDB). The tool has been used to store crystallization data parsed out of the PDB and these data may be used to extend the crystallization information found in the Biological Macromolecule Crystallization Dat...

The title compound, C(18)H(21)NO(3)·2.33H(2)O, is the fourth reported member in a series of (1R,3S)-6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline derivatives used in catalysis as ligands (or their precursors). The N-heterocycle in the structure adopts a half-chair conformation. The dihedral angle between the benzene rings is 77.29 (13)°. There are three ill-resolved water molecules o...

A 76-year-old woman complained of abdominal pain in the right upper quadrant and fever that had been developing over the previous 10 days. On examination, she presented pain in the right upper quadrant with positive Murphy’s sign. Computed tomography showed the presence of acute cholecystitis and, as a casual finding, the presence of cholelithiasis with air in its interior (Fig. 1). The presenc...

In the title hydrate, C16H23BrN2O·2H2O, the organic mol-ecule features a strong intra-molecular O-H⋯N hydrogen bond. The piperidine ring, in addition, adopts a chair conformation with the exocyclic C-N bond in an equatorial orientation. The water molecules of crystallization are disordered (each over two sets of sites with half occupancy. In the crystal, they associate into corrugated (100) she...

The asymmetric unit of the title compound, [Co(C(44)H(28)N(4))]·C(12)H(24)O(6), contains one half of a Co(II)(TPP) (TPP is tetra-phenyl-porphyrin) complex and one half of an 18-crown-6 mol-ecule of crystallization, both lying on inversion centers. The Co(II)(TPP) complex exhibits a nearly planar conformation of the porphyrinate core [maximum deviation = 0.069 (2) Å] with an average Co-N distanc...

Observations of crystallization experiments are classified as specific outcomes and integrated through a phase diagram to visualize solubility and thereby direct subsequent experiments. Specific examples are taken from our high-throughput crystallization laboratory which provided a broad scope of data from 20 million crystallization experiments on 12,500 different biological macromolecules. The...

This study addresses the effect of impurities on the crystallization of Na2CO3 produced within a strategy for capturing CO2 from flue gases by alkaline absorption. A novel technology membrane assisted crystallization is proposed for Na2CO3 crystallization from mother liquors containing impurities. High purity of Na2CO3•10H2O crystals was obtained without impacting the performance of the mass tr...