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 |
