8HGC
Crystal structure of the CYP199A4 mutant F182T in complex with 4-methoxybenzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.326, 51.672, 79.158 |
| Unit cell angles | 90.00, 92.55, 90.00 |
Refinement procedure
| Resolution | 44.280 - 1.720 |
| R-factor | 0.1583 |
| Rwork | 0.156 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pqd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.743 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX (1.18.2) |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.280 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.066 | 0.496 |
| Rmeas | 0.078 | 0.589 |
| Rpim | 0.042 | 0.314 |
| Total number of observations | 116855 | 18867 |
| Number of reflections | 34700 | 5507 |
| <I/σ(I)> | 9.3 | 2.4 |
| Completeness [%] | 90.6 | |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.2 M MgAc, 0.1 M Bis-tris 5.5, 27% PEG3350 |
