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 |