4BN8
Nitroreductase CinD from Lactococcus lactis in complex with 4- nitrophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.888, 120.804, 68.572 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.402 - 1.895 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.19710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wqf |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.804 |
| 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] | 100.000 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.120 | 1.000 |
| Number of reflections | 17092 | |
| <I/σ(I)> | 10 | 1.12 |
| Completeness [%] | 99.2 | 69.6 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
