4M08
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145V
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-12 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 145.830, 145.830, 137.225 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 63.146 - 2.799 |
R-factor | 0.2236 |
Rwork | 0.221 |
R-free | 0.27980 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.783 |
Data reduction software | PROTEUM2 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.150 | 2.899 |
High resolution limit [Å] | 2.799 | 2.799 |
Rmerge | 0.196 | 1.657 |
Number of reflections | 41940 | |
<I/σ(I)> | 23.34 | 2.08 |
Completeness [%] | 99.9 | 99.39 |
Redundancy | 35.5 | 21.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4 | 298 | 1 M (NH4)2 SO4, 0.1 M citric acid pH 4.0, 2:1, hanging, vapor diffusion, temperature 298K |