3BEM
Crystal structure of putative nitroreductase ydfN (2632848) from Bacillus subtilis at 1.65 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.91840, 0.97939, 0.97953 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.620, 69.200, 61.850 |
| Unit cell angles | 90.00, 100.54, 90.00 |
Refinement procedure
| Resolution | 28.583 - 1.650 |
| R-factor | 0.152 |
| Rwork | 0.151 |
| R-free | 0.17500 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.610 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.583 | 28.583 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.051 | 0.036 | 0.291 |
| Number of reflections | 51334 | 9996 | 9336 |
| <I/σ(I)> | 8.98 | 17.9 | 2.9 |
| Completeness [%] | 97.0 | 97.2 | 89.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | NANODROP, 40.0% 1,2-propanediol, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
