4AUN
Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-03 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 253.370, 243.290, 97.060 |
| Unit cell angles | 90.00, 104.16, 90.00 |
Refinement procedure
| Resolution | 69.940 - 1.920 |
| R-factor | 0.16605 |
| Rwork | 0.164 |
| R-free | 0.20054 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aul |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.124 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.890 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.130 | 0.540 |
| Number of reflections | 409557 | |
| <I/σ(I)> | 7.6 | 2.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | PROTEIN CRYSTAL WAS OBTAINED IN 8-18% PEG 4000, 0.2 M POTASSIUM CHLORIDE, 0.01 M CALCIUM CHLORIDE DEHYDRATE AND 0.05 M SODIUM CACODYLATE TRIHYDRATE AT PH 5.0 |
