6QQ0
Crystal structure of nitrite bound Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96861 |
Spacegroup name | H 3 |
Unit cell lengths | 127.650, 127.650, 86.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.630 - 1.400 |
R-factor | 0.11515 |
Rwork | 0.113 |
R-free | 0.14580 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.670 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.000 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.072 | 1.160 |
Rpim | 0.058 | 0.910 |
Number of reflections | 103296 | 5105 |
<I/σ(I)> | 6.8 | 0.8 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 2.8 | 2.8 |
CC(1/2) | 0.996 | 0.304 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 284 | 0.1M HEPES (pH7.5), 20% PEG 3350, 0.2 M Sodium citrate |