6I61
Crystal structure of human ERRg LBD in complex with bisphenol-B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 64.030, 64.030, 135.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.638 - 1.650 |
R-factor | 0.1868 |
Rwork | 0.185 |
R-free | 0.21910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zbs |
RMSD bond length | 0.006 |
RMSD bond angle | 0.806 |
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] | 42.940 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmeas | 0.092 | 0.620 |
Number of reflections | 34719 | 2510 |
<I/σ(I)> | 13.7 | 3.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.9 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG 8000 |