4R21
Zebra fish cytochrome P450 17A2 with Progesterone
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 | 2013-07-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.940, 78.630, 95.410 |
| Unit cell angles | 90.00, 92.03, 90.00 |
Refinement procedure
| Resolution | 17.080 - 2.700 |
| R-factor | 0.209 |
| Rwork | 0.205 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.615 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.080 | 2.810 |
| High resolution limit [Å] | 2.700 | 2.730 |
| Rmerge | 0.074 | 0.668 |
| Number of reflections | 22643 | |
| <I/σ(I)> | 16.4 | 2.2 |
| Completeness [%] | 99.0 | 98.2 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 50 mM sodium HEPES buffer, 25 mM MgCl2 and 15% (v/v) polyethylene glycol monomethyl ether 3550, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
