7ZB9
Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.540, 75.080, 56.560 |
| Unit cell angles | 90.00, 106.96, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.150 |
| R-factor | 0.1316 |
| Rwork | 0.130 |
| R-free | 0.15660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t0f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.125 |
| Data reduction software | XDS (20180409) |
| Data scaling software | XSCALE (20180409) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.500 | 29.500 | 1.180 |
| High resolution limit [Å] | 1.150 | 5.150 | 1.150 |
| Rmeas | 0.152 | 0.084 | 1.070 |
| Number of reflections | 144678 | 1664 | 10311 |
| <I/σ(I)> | 6.97 | 23.88 | 1.26 |
| Completeness [%] | 99.4 | 98.8 | 96.2 |
| Redundancy | 6.3 | 6.5 | 5.4 |
| CC(1/2) | 0.996 | 0.993 | 0.531 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Mg(Cl)2, 0.1 M Bis-Tris, 25 % PEG 3350 |
