6F88
Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with progesterone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.886, 65.824, 128.963 |
| Unit cell angles | 90.00, 112.84, 90.00 |
Refinement procedure
| Resolution | 46.489 - 1.750 |
| R-factor | 0.1692 |
| Rwork | 0.167 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5liv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.454 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.490 | 46.490 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.037 | 0.020 | 0.400 |
| Rmeas | 0.042 | 0.023 | 0.454 |
| Rpim | 0.020 | 0.011 | 0.209 |
| Total number of observations | 351321 | 2602 | 19720 |
| Number of reflections | 78316 | 586 | 4298 |
| <I/σ(I)> | 24.3 | 77.9 | 3.8 |
| Completeness [%] | 99.6 | 97.5 | 99.5 |
| Redundancy | 4.5 | 4.4 | 4.6 |
| CC(1/2) | 1.000 | 0.999 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Bis-Tris propane pH 6.5, 17% (w/v) PEG 3350, 0.02 M NaNO3 |
