4B7F
Structure of a liganded bacterial catalase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-27 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 63 |
Unit cell lengths | 151.510, 151.510, 156.620 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 100.580 - 1.760 |
R-factor | 0.1597 |
Rwork | 0.158 |
R-free | 0.19420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8cat |
RMSD bond length | 0.007 |
RMSD bond angle | 1.176 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.580 | 1.810 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.100 | 0.590 |
Number of reflections | 186963 | |
<I/σ(I)> | 9 | 2.4 |
Completeness [%] | 93.0 | 93.6 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |