3WKP
C135A mutant of Geobacillus thermodenitrificans copper-containing nitrite reductase in complex with nitrite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Detector technology | CCD |
Collection date | 2013-06-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | H 3 |
Unit cell lengths | 114.866, 114.866, 84.039 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.180 - 1.901 |
R-factor | 0.15889 |
Rwork | 0.156 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.088 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.901 | 1.901 |
Number of reflections | 30251 | |
Completeness [%] | 93.2 | 90.7 |
Redundancy | 2.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 5.5% PEG 4000, 0.1M sodium acetate, 0.075M copper sulphate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |