7CL9
Androstenedione-bound structure of CYP154C2 from Streptomyces avermitilis in an open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2019-03-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.600, 80.130, 120.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.790 - 1.950 |
| R-factor | 0.19495 |
| Rwork | 0.192 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l69 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.620 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.098 | 0.932 |
| Number of reflections | 39415 | 5656 |
| <I/σ(I)> | 13.5 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.6 | 11.5 |
| CC(1/2) | 0.998 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.06 M Divalents, 0.1 M Buffer System 2 pH 7.5, 50% v/v Precipitant mix 1 |
