2G5O
Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2005-10-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.069, 83.347, 58.829 |
| Unit cell angles | 90.00, 109.05, 90.00 |
Refinement procedure
| Resolution | 19.650 - 2.300 |
| R-factor | 0.21212 |
| Rwork | 0.209 |
| R-free | 0.26401 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zky |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.130 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.084 | 0.385 |
| Number of reflections | 22324 | |
| <I/σ(I)> | 15.954 | 4.56 |
| Completeness [%] | 97.4 | 97.2 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.2M MAGENESIUM CHLORIDE 0.1M TRIS P 8.0 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
