5NKV
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 at pH 9.0 and 293 K.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2015-11-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 52.427, 53.015, 55.337 |
Unit cell angles | 107.30, 98.54, 109.86 |
Refinement procedure
Resolution | 19.489 - 2.000 |
R-factor | 0.1607 |
Rwork | 0.160 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.581 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (dev_2689) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.489 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 27988 | 1457 |
<I/σ(I)> | 5.6 | 2.1 |
Completeness [%] | 80.6 | 42.1 |
Redundancy | 2.6 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.5 | 293 | 0.15 M MgSO4, 0.1 M MES pH 6.5, 30% PEG 3350 grown in capillary counter-diffusion set up and buffer exchanged for 0.15 M MgSO4, 0.1 M Tris HCl pH 9.0, 30% PEG 3350, all dissolved in D2O. |