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 |
