6I64
Crystal structure of human ERRg LBD in complex with bisphenol-E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-03 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 64.320, 64.320, 138.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.130 - 1.910 |
R-factor | 0.1994 |
Rwork | 0.197 |
R-free | 0.23690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zbs |
RMSD bond length | 0.007 |
RMSD bond angle | 0.799 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.130 | 1.950 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmeas | 0.073 | 0.636 |
Number of reflections | 23275 | 1509 |
<I/σ(I)> | 22.4 | 3.2 |
Completeness [%] | 98.1 | 87.2 |
Redundancy | 7.9 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG8000 |