2WZW
Crystal structure of the FMN-dependent nitroreductase NfnB from Mycobacterium smegmatis in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-19 |
| Detector | MARRESEARCH |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 85.550, 115.610, 119.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.120 - 1.800 |
| R-factor | 0.1508 |
| Rwork | 0.150 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wzv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.900 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.800 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.460 |
| Number of reflections | 55133 | |
| <I/σ(I)> | 9.5 | 3 |
| Completeness [%] | 100.0 | 99.9 |
| 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 |
