6A6K
Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.828, 78.571, 106.963 |
Unit cell angles | 90.00, 109.19, 90.00 |
Refinement procedure
Resolution | 39.285 - 2.900 |
R-factor | 0.2039 |
Rwork | 0.201 |
R-free | 0.26330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yso |
RMSD bond length | 0.009 |
RMSD bond angle | 1.181 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.083 | 0.241 |
Rmeas | 0.099 | 0.301 |
Rpim | 0.054 | 0.178 |
Number of reflections | 18054 | 857 |
<I/σ(I)> | 5.7 | |
Completeness [%] | 97.6 | 93.5 |
Redundancy | 3 | 2.4 |
CC(1/2) | 0.973 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M BIS-TRIS pH6.5, 16 %(w/v) PEG 10K, 3% MetOH |