6I67
Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9798 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 64.085, 64.085, 133.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.315 - 1.750 |
R-factor | 0.1727 |
Rwork | 0.171 |
R-free | 0.20840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zbs |
RMSD bond length | 0.006 |
RMSD bond angle | 0.891 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.315 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmeas | 0.082 | 0.559 |
Number of reflections | 53683 | 4120 |
<I/σ(I)> | 17.7 | 4.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.2 | 12.4 |
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 |