5NKU
Joint neutron/X-ray structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425
Experimental procedure
Experimental method | LAUE |
Source type | NUCLEAR REACTOR |
Source details | ORNL Spallation Neutron Source BEAMLINE MANDI |
Synchrotron site | ORNL Spallation Neutron Source |
Beamline | MANDI |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2015-11-30 |
Detector | ORNL ANGER CAMERA |
Wavelength(s) | 2.00 - 4.00 |
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 | 17.223 - 2.350 |
R-factor | 0.24 |
Rwork | 0.239 |
R-free | 0.25330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qpi |
RMSD bond length | 0.017 |
RMSD bond angle | 1.630 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((dev_2689: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.489 |
High resolution limit [Å] | 2.000 |
Number of reflections | 27988 |
<I/σ(I)> | 5.6 |
Completeness [%] | 80.6 |
Redundancy | 2.6 |
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. |
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. |