2GSW
Crystal Structure of the Putative NADPH-dependent Azobenzene FMN-Reductase YhdA from Bacillus subtilis, Northeast Structural Genomics Target SR135
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 | 2006-03-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97896, 0.97942, 0.96780 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.444, 99.296, 69.436 |
| Unit cell angles | 90.00, 103.34, 90.00 |
Refinement procedure
| Resolution | 29.720 - 2.920 |
| R-factor | 0.26 |
| Rwork | 0.260 |
| R-free | 0.29100 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.720 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.080 | 0.368 |
| Number of reflections | 28615 | |
| <I/σ(I)> | 14.3 | 2.92 |
| Completeness [%] | 97.6 | 91.6 |
| Redundancy | 4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100mM Tris, 22% PEG3350, 180mM MgCl2, 5 mM NADPH, 5 mM DTT, pH 8.50, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
