3Q95
Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2010-03-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.528, 81.865, 58.886 |
| Unit cell angles | 90.00, 111.13, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.19851 |
| Rwork | 0.196 |
| R-free | 0.24149 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zky |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.252 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.130 | 0.510 |
| Number of reflections | 53026 | |
| <I/σ(I)> | 5.6 | 1 |
| Completeness [%] | 86.0 | 37.6 |
| Redundancy | 1.8 | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
