4Y8W
Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9782 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.383, 86.860, 108.923 |
| Unit cell angles | 90.00, 102.11, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.640 |
| R-factor | 0.23485 |
| Rwork | 0.231 |
| R-free | 0.28084 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 3QZ1 (One molecule of the protein alone) |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.521 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.420 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Number of reflections | 40299 | |
| <I/σ(I)> | 10.2 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 12 mg/mL protein, 0.05 M 4-(2-hydroxyethyl)-1-piperazineethanesulfonate (HEPES), 0.1 M ammonium sulfate and 12.5% (w/v) polyethylene glycol 3350 |
