3S79
Human placental aromatase cytochrome P450 (CYP19A1) refined at 2.75 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 140.218, 140.218, 119.271 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 121.270 - 2.750 |
| R-factor | 0.22047 |
| Rwork | 0.220 |
| R-free | 0.23560 |
| Structure solution method | Refinement at higher resolution |
| Starting model (for MR) | 3eqm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.272 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 121.430 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 5.920 | 2.750 |
| Rmerge | 0.077 | ||
| Number of reflections | 33618 | ||
| <I/σ(I)> | 25.42 | ||
| Completeness [%] | 99.5 | 95.7 | 100 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 20-30% PEG 4000, phosphate buffer, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
