7OW9
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine
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 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.179, 105.025, 104.219 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.110 - 1.800 |
| R-factor | 0.1686 |
| Rwork | 0.167 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nc3 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.370 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 | 1.047 |
| Rmeas | 0.078 | |
| Rpim | 0.021 | 0.295 |
| Number of reflections | 40958 | 1997 |
| <I/σ(I)> | 18 | 0.9 |
| Completeness [%] | 99.6 | 97.89 |
| Redundancy | 13 | 13.2 |
| CC(1/2) | 1.000 | 0.914 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 0.2M Ammonium Nitrate, 0.1M Bis Tris Propane pH 8.5, 18% V/V PEG smear High |
