2VR0
Crystal structure of cytochrome c nitrite reductase NrfHA complex bound to the HQNO inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.102, 189.115, 263.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 154.300 - 2.800 |
| R-factor | 0.221 |
| Rwork | 0.220 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j7a |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.421 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0013) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.770 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.110 | 0.380 |
| Number of reflections | 92571 | |
| <I/σ(I)> | 9.4 | 2.5 |
| Completeness [%] | 86.5 | 75.4 |
| Redundancy | 2.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 277 | 277 K 9% PEG 4K 0.1 M HEPES PH 7.5 100 MM GLYCYL-GLYCYL-GLYCINE VAPOUR DIFFUSION METHOD. |
