5SXW
Crystal structure of the E198A variant of catalase-peroxidase KatG of Burkholderia pseudomallei
Replaces: 3N3RExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.340, 116.020, 174.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.600 |
R-factor | 0.1443 |
Rwork | 0.143 |
R-free | 0.16910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.033 |
RMSD bond angle | 2.738 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.650 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.084 | 0.550 |
Number of reflections | 267341 | |
<I/σ(I)> | 11.9 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.9 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% PEG 4000, 20% MPD, 25 mM NaCl, 0.1 M sodium citrate pH 5.6 |