3S7S
Crystal structure of human placental aromatase complexed with breast cancer drug exemestane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 140.626, 140.626, 119.024 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 121.790 - 3.210 |
| R-factor | 0.22272 |
| Rwork | 0.221 |
| R-free | 0.25569 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.227 |
| 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] | 121.790 | 50.000 | 3.310 |
| High resolution limit [Å] | 3.210 | 6.890 | 3.210 |
| Rmerge | 0.110 | ||
| Number of reflections | 21353 | ||
| <I/σ(I)> | 23.93 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 24-32% PEG 4000, phosphate buffer, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
