5D4J
Chloride-bound form of a copper nitrite reductase from Alcaligenes faecals
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 | 2014-12-10 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.75000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.395, 102.207, 144.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.790 - 2.000 |
R-factor | 0.18453 |
Rwork | 0.182 |
R-free | 0.23224 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.846 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.150 | |
Number of reflections | 62159 | |
<I/σ(I)> | 19.2 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 24.2 | 24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.1 | 293 | 1:1 mixture of the purified protein solution (40 mg/ml) and a reservoir solution composed of 100 mM sodium acetate (pH 4.1) and 7% PEG 4000 |