7CL8
Testosterone-bound structure of CYP154C2 from Streptomyces avermitilis in an closed 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 | CCD |
| Collection date | 2019-03-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 53.740, 61.820, 133.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.930 - 1.420 |
| R-factor | 0.1451 |
| Rwork | 0.144 |
| R-free | 0.16090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l69 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.046 |
| 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 | 1.500 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.078 | 0.433 |
| Number of reflections | 84407 | 12158 |
| <I/σ(I)> | 14.7 | 4.9 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 9.8 | |
| CC(1/2) | 0.998 | 0.923 |
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 |
