4R20
Zebra fish cytochrome P450 17A2 with Abiraterone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-02-14 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.00395 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.010, 79.770, 95.240 |
| Unit cell angles | 90.00, 92.73, 90.00 |
Refinement procedure
| Resolution | 42.320 - 2.860 |
| R-factor | 0.22728 |
| Rwork | 0.223 |
| R-free | 0.30514 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.675 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | PHENIX ((SAD)) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.320 | 2.980 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.099 | 0.785 |
| Number of reflections | 19689 | |
| <I/σ(I)> | 23.7 | 4.29 |
| Completeness [%] | 99.5 | |
| Redundancy | 7.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.5% (w/v) tryptone, 25 mM sodium HEPES, and 10% (w/v) polyethylene glycol 3,350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
