1ZAF
Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-12-26 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.2 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.281, 89.213, 99.334 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.910 - 2.200 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.28600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.094 | 0.348 |
Number of reflections | 23329 | |
<I/σ(I)> | 15.6 | 3.08 |
Completeness [%] | 96.6 | 98.5 |
Redundancy | 5.7 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 15% PEG3350, 0.2M Mg Acetate, pH 7.5, VAPOR DIFFUSION, temperature 291K |