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 |