4B7A
Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-23 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 200.865, 121.677, 125.528 |
Unit cell angles | 90.00, 115.50, 90.00 |
Refinement procedure
Resolution | 113.300 - 1.950 |
R-factor | 0.15272 |
Rwork | 0.151 |
R-free | 0.18618 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.015 |
RMSD bond angle | 1.812 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.380 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.100 | 0.440 |
Number of reflections | 197287 | |
<I/σ(I)> | 10.4 | 3.8 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 4.6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.2 | 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 5.2 |