9TM7
Unspecific Peroxygenase from Daldinia childiae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2024-08-02 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.604, 78.049, 62.585 |
| Unit cell angles | 90.00, 95.18, 90.00 |
Refinement procedure
| Resolution | 40.670 - 1.880 |
| R-factor | 0.20743 |
| Rwork | 0.205 |
| R-free | 0.26234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.644 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0431) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.670 | 1.920 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.140 | 1.180 |
| Rpim | 0.080 | 0.720 |
| Number of reflections | 31736 | 2030 |
| <I/σ(I)> | 7.4 | 1.5 |
| Completeness [%] | 99.7 | |
| Redundancy | 7 | |
| CC(1/2) | 1.000 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 20% (w/v) PEG 6000; 0.2 M CaCl2 dihydrate; 0.1 M MES pH 6.0 |
