3DT3
Human Estrogen receptor alpha LBD with GW368
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.309, 57.996, 88.331 |
Unit cell angles | 90.00, 105.15, 90.00 |
Refinement procedure
Resolution | 28.420 - 2.400 |
R-factor | 0.207 |
Rwork | 0.203 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ERa LBD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.990 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.072 | 0.028 | 0.489 |
Number of reflections | 19693 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 98.6 | 99.4 | 91.2 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M Hepes pH7.0, 12% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |