8RV0
Crystal structure of octaheme nitrite reductase from Trichlorobacter ammonificans in complex with nitrite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-12 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | P 63 |
| Unit cell lengths | 114.440, 114.440, 65.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.600 - 1.550 |
| R-factor | 0.20558 |
| Rwork | 0.203 |
| R-free | 0.25495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 3.421 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 1.590 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 69684 | 5157 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 1.0 | |
| Redundancy | 4.4 | |
| CC(1/2) | 0.998 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20 mM NaNO2, 0.1 M Bis-Tris, pH 5.7, 17-20 % PEG 3350 |
