4B5K
Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-16 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 201.392, 122.000, 125.670 |
| Unit cell angles | 90.00, 115.48, 90.00 |
Refinement procedure
| Resolution | 28.920 - 1.700 |
| R-factor | 0.15436 |
| Rwork | 0.153 |
| R-free | 0.18041 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.647 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.770 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 0.410 |
| Number of reflections | 297340 | |
| <I/σ(I)> | 9.8 | 2.4 |
| Completeness [%] | 99.1 | 97.1 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.2 | PROTEIN CRYSTAL WAS OBTAINED IN 6-16 % PEG 400, 0.2 M POTASSIUM CHLORIDE, 0.01 M CALCIUM CHLORIDE DEHYDRATE AND 0.05 M SODIUM CACODYLATE TRIHYDRATE AT PH 5.2 |
