8RVM
Crystal structure of octaheme nitrite reductase from Trichlorobacter ammonificans in space group P63
This is a non-PDB format compatible entry.
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 | 2018-11-19 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 63 |
| Unit cell lengths | 114.200, 114.200, 64.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 98.900 - 1.600 |
| Rwork | 0.194 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.794 |
| 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] | 98.900 | 1.740 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 59330 | 4437 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.3 | |
| CC(1/2) | 0.888 | 0.656 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 17-20 % PEG 3350, 0.1 M Bis-Tris |
