7WEX
The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2021-05-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 63 |
| Unit cell lengths | 83.381, 83.381, 93.805 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.730 - 1.990 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.24280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.581 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 25483 | 25483 |
| <I/σ(I)> | 31.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.2 | |
| CC(1/2) | 0.985 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate (pH 6.5) and 20% w/v polyethylene glycol 8000 |
