5OCF
Crystal structure of nitric oxide bound to three-domain heme-Cu nitrite reductase from Ralstonia pickettii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 183.180, 183.180, 183.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.780 - 1.800 |
| R-factor | 0.14957 |
| Rwork | 0.149 |
| R-free | 0.16449 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6f1q |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.492 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.127 | 1.056 |
| Rpim | 0.056 | 0.512 |
| Number of reflections | 93990 | 13593 |
| <I/σ(I)> | 9.7 | 1.4 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 6.1 | 5.2 |
| CC(1/2) | 0.997 | 0.362 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% PEG3350, 0.2M SODIUM CITRATE, 20MM BIS-TRIS-PROPANE-HCL PH7.5 |
