6B82
Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-01-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 104.920, 104.920, 235.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.260 - 3.030 |
| R-factor | 0.19611 |
| Rwork | 0.193 |
| R-free | 0.25498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r1z |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.567 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.260 | 3.110 |
| High resolution limit [Å] | 3.030 | 3.030 |
| Rmerge | 0.119 | 0.959 |
| Rmeas | 0.128 | 1.030 |
| Rpim | 0.047 | 0.371 |
| Number of reflections | 26303 | 1896 |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 299 | rfere |
