7QVJ
ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97622 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 106.900, 51.790, 85.510 |
Unit cell angles | 90.00, 93.86, 90.00 |
Refinement procedure
Resolution | 43.910 - 1.680 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6suo |
RMSD bond length | 0.009 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.910 | 1.720 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.041 | 0.877 |
Rmeas | 0.057 | 0.982 |
Rpim | 0.039 | 0.783 |
Number of reflections | 50941 | 3623 |
<I/σ(I)> | 11 | 1.2 |
Completeness [%] | 95.6 | 92 |
Redundancy | 3.3 | 2.9 |
CC(1/2) | 0.998 | 0.464 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, magnesium chloride |