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 |