4OQR
Structure of a CYP105AS1 mutant in complex with compactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.360, 86.810, 139.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.540 - 1.810 |
| R-factor | 0.17725 |
| Rwork | 0.175 |
| R-free | 0.21705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | WT structure |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.031 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.540 | 1.850 |
| High resolution limit [Å] | 1.810 | 1.800 |
| Rmerge | 0.059 | 0.325 |
| Number of reflections | 42324 | |
| <I/σ(I)> | 14.2 | 2.7 |
| Completeness [%] | 99.9 | 99.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 100 mM Bis-Tris propane at pH 6.5, 200 mM sodium bromide and 22.5% PEG 3350 (w/v), VAPOR DIFFUSION, SITTING DROP, temperature 277K |
