6XAE
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Replaces: 6W9JExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-31 |
Detector | RAYONIX MX-300 |
Wavelength(s) | .980 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 62.236, 62.236, 156.811 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.850 - 2.257 |
R-factor | 0.2106 |
Rwork | 0.208 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vqf |
RMSD bond length | 0.008 |
RMSD bond angle | 0.910 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.400 | 3.090 |
High resolution limit [Å] | 2.257 | 2.930 |
Rmerge | 0.204 | 1.078 |
Number of reflections | 8048 | 1006 |
<I/σ(I)> | 10.8 | 2.2 |
Completeness [%] | 96.4 | 100 |
Redundancy | 7.6 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | PROTEIN AT 8-10MG/ML, WITH 0.2M MGCL2, 22% PEG3350, 0.1M BIS-TRIS PH 5.5, PH 0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K |