8RXU
Crystal structure of octaheme nitrite reductase from Trichlorobacter ammonificans in space group P21
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 1 21 1 |
| Unit cell lengths | 114.200, 64.800, 114.200 |
| Unit cell angles | 90.00, 119.90, 90.00 |
Refinement procedure
| Resolution | 42.877 - 1.737 |
| Rwork | 0.191 |
| R-free | 0.25420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 3.056 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.877 | 1.830 |
| High resolution limit [Å] | 1.737 | 1.737 |
| Rmerge | 0.956 | |
| Number of reflections | 145919 | 101804 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 98.0 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.996 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 278 | 17-20 % PEG 3350, 0.1 M Bis-Tris |
