6E3G
Structure of RORgt in complex with a novel agonist.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 |
Unit cell lengths | 61.951, 61.951, 155.559 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.950 - 2.100 |
R-factor | 0.1955 |
Rwork | 0.193 |
R-free | 0.24310 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.385 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.950 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.136 | 0.035 | |
Rmeas | 0.152 | 0.039 | |
Rpim | 0.071 | 0.017 | 0.548 |
Number of reflections | 34222 | 1751 | 1736 |
<I/σ(I)> | 5.7 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 5 | 5.1 | 4.8 |
CC(1/2) | 0.999 | 0.524 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG3350, 0.2M AmmNitrate, 0.1M Citrate pH 6.0 |