1YYE
Crystal structure of estrogen receptor beta complexed with way-202196
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-01-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.075, 88.504, 100.139 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.030 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ours ER-beta-genistein complex structure |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.053 | 0.489 |
Number of reflections | 30401 | |
<I/σ(I)> | 18.2 | 2.8 |
Completeness [%] | 98.5 | 95.7 |
Redundancy | 3.98 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.8 | 291 | 20% PEG3350, 0.2M Mg Acetate, pH7.8, EVAPORATION, temperature 291K |