5ZZ1
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 | 2012-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 125.528, 121.677, 185.454 |
| Unit cell angles | 90.00, 102.16, 90.00 |
Refinement procedure
| Resolution | 29.400 - 1.910 |
| R-factor | 0.1437 |
| Rwork | 0.142 |
| R-free | 0.17370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aum |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.937 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.400 | 1.960 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.057 | 0.426 |
| Rpim | 0.037 | 0.235 |
| Number of reflections | 206818 | 9578 |
| <I/σ(I)> | 10.2 | 2.7 |
| Completeness [%] | 99.8 | 94.6 |
| Redundancy | 3.3 | 3.1 |
| CC(1/2) | 0.998 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 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 |
