8A8L
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.770, 108.169, 105.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.100 - 1.880 |
| R-factor | 0.2001 |
| Rwork | 0.198 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pq1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.075 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.130 | 1.920 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.113 | 1.955 |
| Rpim | 0.033 | 0.583 |
| Number of reflections | 37815 | 2424 |
| <I/σ(I)> | 13.1 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.8 | 12.6 |
| CC(1/2) | 0.999 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 0.1M Bis-Tris propane pH 8.5, 0.2M Ammonium nitrate, 18% v/v PEG Smear High |
