1GWR
HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-OESTRADIOL AND TIF2 NRBOX3 PEPTIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-12-15 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.310, 90.540, 59.230 |
Unit cell angles | 90.00, 109.83, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.400 |
Rwork | 0.225 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ere |
RMSD bond length | 0.012 * |
RMSD bond angle | 0.038 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.097 | 0.331 |
Total number of observations | 134819 * | |
Number of reflections | 20680 | 915 * |
<I/σ(I)> | 8 | 2 |
Completeness [%] | 95.0 | 82.9 |
Redundancy | 3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.8 | 18 * | 2-2.5% (W/V) PEG 20000 0.1M HEPES PH7.8, pH 7.80 |