4B2Y
Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-05 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 201.323, 121.205, 124.965 |
Unit cell angles | 90.00, 115.54, 90.00 |
Refinement procedure
Resolution | 29.010 - 1.900 |
R-factor | 0.15172 |
Rwork | 0.150 |
R-free | 0.18115 |
Structure solution method | OTHER |
RMSD bond length | 0.012 |
RMSD bond angle | 1.807 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.260 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.440 |
Number of reflections | 209169 | |
<I/σ(I)> | 11.9 | 3.1 |
Completeness [%] | 98.5 | 99.6 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | PROTEIN CRYSTAL WAS OBTAINED IN 6-16 % PEG400, 0.2 M POTASSIUM CHLORIDE, 0.01 M CALCIUM CHLORIDE DEHYDRATE AND 0.05 M SODIUM CACODYLATE TRIHYDRATE AT PH 5.6 |