8A91
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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-15 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.154, 108.574, 105.768 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.380 - 1.850 |
| R-factor | 0.2069 |
| Rwork | 0.206 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ow9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.499 |
| 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] | 55.380 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.111 | 2.000 |
| Rmeas | 0.115 | |
| Rpim | 0.032 | 0.785 |
| Number of reflections | 40202 | 2451 |
| <I/σ(I)> | 12.6 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13.4 |
| CC(1/2) | 0.999 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.15M Lithium sulfate, 0.05M Magnesium chloride hexahydrate, 0.1M HEPES pH 7.8, 20% v/v PEG Smear High |
