7ZXJ
K563A Mutant of Recombinant CODH-II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 112.096, 75.481, 71.265 |
Unit cell angles | 90.00, 111.34, 90.00 |
Refinement procedure
Resolution | 28.010 - 1.249 |
R-factor | 0.1387 |
Rwork | 0.137 |
R-free | 0.17080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b51 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.465 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.870 | 1.290 |
High resolution limit [Å] | 1.249 | 1.250 |
Rmerge | 0.077 | 0.771 |
Rmeas | 0.090 | 0.912 |
Number of reflections | 151514 | 14296 |
<I/σ(I)> | 9.3 | 1.6 |
Completeness [%] | 99.1 | |
Redundancy | 3.7 | |
CC(1/2) | 0.998 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 0.1M Bis-Tris pH 6.5, PEG 3350 10-18%, Ammonium sulphate 0.18M |