3GT0
Crystal structure of pyrroline 5-carboxylate reductase from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR38B
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97910, 0.97934 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.980, 68.450, 149.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.290 - 2.000 |
| R-factor | 0.23226 |
| Rwork | 0.231 |
| R-free | 0.26186 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.214 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SnB |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.440 |
| Number of reflections | 35350 | |
| <I/σ(I)> | 16.6 | 5.4 |
| Completeness [%] | 99.2 | 96.2 |
| Redundancy | 6.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5. Reservoir solution: 100 mM CaCl2, 100 mM Na Acetate pH 5.0, 18% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
