3DT3
Human Estrogen receptor alpha LBD with GW368
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-11-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.309, 57.996, 88.331 |
| Unit cell angles | 90.00, 105.15, 90.00 |
Refinement procedure
| Resolution | 28.420 - 2.400 |
| R-factor | 0.207 |
| Rwork | 0.203 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ERa LBD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.990 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.072 | 0.028 | 0.489 |
| Number of reflections | 19693 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 98.6 | 99.4 | 91.2 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M Hepes pH7.0, 12% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
