9J1X
Structure of mutant evolved from PaDa-I, unspecific peroxygenase from Agrocybe aegerita
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.091, 57.907, 60.699 |
| Unit cell angles | 90.00, 110.34, 90.00 |
Refinement procedure
| Resolution | 47.900 - 1.390 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.19690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.098 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.910 | 1.430 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.251 | 3.203 |
| Number of reflections | 66880 | 4931 |
| <I/σ(I)> | 7.1 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.5 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M potassium sodium tartrate tetrahydrate (pH 7.2) and 20% w/v PEG 3350 |
