2WQF
Crystal Structure of the Nitroreductase CinD from Lactococcus lactis in Complex with FMN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 53.843, 120.147, 68.659 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.134 - 1.350 |
R-factor | 0.1322 |
Rwork | 0.132 |
R-free | 0.15550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ifa |
RMSD bond length | 0.007 |
RMSD bond angle | 0.863 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.150 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.090 | 0.580 |
Number of reflections | 48865 | |
<I/σ(I)> | 12.36 | 1.9 |
Completeness [%] | 99.2 | 97.3 |
Redundancy | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2M MGCL2, 0.1M TRISHCL PH 8.0, 5% MPD (V/V), 20% PEG 3350 (W/V), 1MM FMN, 4MM DTT |