3GMS
Crystal structure of putative NADPH:quinone reductase from bacillus thuringiensis
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.599, 94.772, 67.573 |
| Unit cell angles | 90.00, 112.97, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.760 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.23400 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.447 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
| Rmerge | 0.069 | 0.051 | 0.367 |
| Number of reflections | 76483 | ||
| <I/σ(I)> | 17.826 | ||
| Completeness [%] | 98.3 | 93.1 | 95.5 |
| Redundancy | 3.1 | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M Sodium Hepes pH 7.5, 30% PEG 400, 0.2M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
