2WZV
Crystal structure of the FMN-dependent nitroreductase NfnB from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-26 |
| Detector | ADSC CCD |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 85.190, 114.971, 118.901 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.750 |
| R-factor | 0.1519 |
| Rwork | 0.151 |
| R-free | 0.17430 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELX-AUTOSHARP |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.200 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.070 | 0.460 |
| Number of reflections | 58860 | |
| <I/σ(I)> | 13.3 | 3.1 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 20% (W/V) PEG8000, 6% (V/V) ISOPROPANOL, 200 MM NH4H2PO4, pH 8.0 |
