5OCB
Crystal structure of nitric oxide bound D97N mutant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | I 21 3 |
Unit cell lengths | 180.460, 180.460, 180.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.610 - 1.780 |
R-factor | 0.14416 |
Rwork | 0.144 |
R-free | 0.16150 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5ocf |
RMSD bond length | 0.013 |
RMSD bond angle | 1.548 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.230 | 1.880 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.090 | 0.657 |
Rpim | 0.056 | 0.424 |
Number of reflections | 91145 | 13378 |
<I/σ(I)> | 8 | 1.7 |
Completeness [%] | 98.4 | 99.4 |
Redundancy | 3.2 | 3.2 |
CC(1/2) | 0.997 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% PEG3350, 0.2M SODIUM CITRATE, 20 mM BIS-TRIS-PROPANE-HCL PH7.5 |