1QKM
HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN
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 61 2 2 |
Unit cell lengths | 63.120, 63.120, 250.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.000 - 1.800 |
Rwork | 0.215 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ere |
RMSD bond length | 0.013 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.049 * | 0.433 * |
Total number of observations | 358818 * | |
Number of reflections | 28523 | |
<I/σ(I)> | 15 | 4 |
Completeness [%] | 99.7 | 100 |
Redundancy | 8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.1 | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | reservoir | PEG6000 | 6-9 (%(w/v)) | |
3 | 1 | reservoir | 1.6-2.1 (M) | ||
4 | 1 | reservoir | Tris-HCl | 0.1 (M) |