5SYY
Crystal structure of the S324G variant of catalase-peroxidase from B. pseudomallei
Replaces: 4QZOExperimental 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 | 2015-10-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97944 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.909, 113.894, 174.789 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.1525 |
Rwork | 0.151 |
R-free | 0.18740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.029 |
RMSD bond angle | 2.275 |
Data scaling software | XDS (3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 95.423 | 43.133 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.023 | 0.506 | |
Number of reflections | 168868 | ||
<I/σ(I)> | 13.2 | 25.9 | 1.5 |
Completeness [%] | 98.8 | 94 | 99.9 |
Redundancy | 3.6 | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 16-20% PEG 4000, 20% MPD, 0.1 M sodium citrate pH 5.6 |