6B0F
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH LSZ102
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 | PIXEL |
Collection date | 2014-02-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.820, 52.100, 97.020 |
Unit cell angles | 90.00, 114.33, 90.00 |
Refinement procedure
Resolution | 45.840 - 2.860 |
R-factor | 0.231 |
Rwork | 0.227 |
R-free | 0.29900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1MTYS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | BUSTER (2.11.7) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.210 | 2.870 |
High resolution limit [Å] | 2.860 | 2.860 |
Rmerge | 0.117 | 0.583 |
Number of reflections | 11212 | 107 |
<I/σ(I)> | 7.3 | 2.1 |
Completeness [%] | 98.8 | 99.1 |
Redundancy | 3.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M TRIS-HCL (PH 8.5), 22% PEG 3350, 0.20 M MAGNESIUM CHLORIDE |