8VXG
The crystal structure of CYP125MRCA, an ancestrally reconstructed CYP125 enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953658521175 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.591, 118.486, 94.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.638 - 1.780 |
| R-factor | 0.1757 |
| Rwork | 0.173 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.095 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.410 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 39392 | 2063 |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 99.6 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.998 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 20% PEG 4000, 20% isopropanol, 0.1 M Sodium citrate tribasic trihydrate |
