5B1K
Crystal structure of the chloride-bound form of blue copper nitrite reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-25 |
| Detector | RAYONIX MX325HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 63 |
| Unit cell lengths | 104.703, 104.703, 63.073 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 90.500 - 1.350 |
| R-factor | 0.15063 |
| Rwork | 0.149 |
| R-free | 0.17287 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.202 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.500 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.710 | |
| Number of reflections | 86291 | |
| <I/σ(I)> | 29.1 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 293 | PEG 3350, Sodium Chloride, Magnesium Chloride |
