3NN2
Structure of chlorite dismutase from Candidatus Nitrospira defluvii in complex with cyanide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-26 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 145.490, 145.490, 136.011 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.836 - 1.940 |
R-factor | 0.17866 |
Rwork | 0.177 |
R-free | 0.21152 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE MODEL |
RMSD bond length | 0.012 |
RMSD bond angle | 1.322 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.000 | 1.990 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 121046 | |
Completeness [%] | 99.2 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.4M sodium/potassium phosphate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |