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 |