4M06
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F in Complex with Cyanide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-19 |
Detector | Q315R CCD detector from ADSC |
Wavelength(s) | 0.8726 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.210, 113.420, 118.840 |
Unit cell angles | 90.00, 117.94, 90.00 |
Refinement procedure
Resolution | 43.450 - 2.600 |
R-factor | 0.2131 |
Rwork | 0.211 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.944 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.450 | 2.693 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.142 | 3.495 |
Number of reflections | 47172 | |
<I/σ(I)> | 10.01 | 0.38 |
Completeness [%] | 96.0 | |
Redundancy | 7.2 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.53 | 298 | 0.78 M Ammonium citrate dibasic, 0.1 M Na acetate, 2:1, hanging, pH 4.53, vapor diffusion, temperature 298K |