8PP0
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 65.648, 65.648, 110.816 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.850 - 1.900 |
R-factor | 0.18187 |
Rwork | 0.180 |
R-free | 0.22260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.368 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.420 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.037 | 0.982 |
Rmeas | 0.042 | 1.134 |
Rpim | 0.015 | 0.397 |
Number of reflections | 19823 | 2833 |
<I/σ(I)> | 20.7 | 2 |
Completeness [%] | 99.9 | |
Redundancy | 7.8 | 8.1 |
CC(1/2) | 1.000 | 0.849 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 23% PEG 3350, 0.1 M Ammonium actetate, 0.1 M tris pH 7.5 |