6B9B
Crystal structure of the catalase-peroxidase from B. pseudomallei with maltose bound
Experimental 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 | 2016-03-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.419, 115.088, 174.975 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.137 |
Rwork | 0.135 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.029 |
RMSD bond angle | 2.373 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.153 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.568 | |
Rmeas | 0.077 | 0.038 |
Rpim | 0.038 | 0.019 |
Total number of observations | 702596 | 22499 |
Number of reflections | 184467 | 5887 |
<I/σ(I)> | 12.9 | 33.1 |
Completeness [%] | 98.7 | 99.8 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 20% MPD,16% PEG 4000, 0.1 M sodium citrate, 100 mM maltose |