9QI9
Crystal structure of styrene monooxygenase RhStyA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-02 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.008, 66.216, 68.713 |
| Unit cell angles | 90.00, 92.41, 90.00 |
Refinement procedure
| Resolution | 47.660 - 1.800 |
| R-factor | 0.1717 |
| Rwork | 0.170 |
| R-free | 0.19650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.854 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.042 | 0.386 |
| Number of reflections | 38296 | 2530 |
| <I/σ(I)> | 9.82 | 1.14 |
| Completeness [%] | 99.8 | 98.13 |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.997 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Sodium nitrate 0.1 M Bis-Tris propane 7.5 20 % w/v PEG 3350 |
