5K3L
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 31 |
Unit cell lengths | 89.558, 89.558, 153.286 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.779 - 2.750 |
R-factor | 0.2421 |
Rwork | 0.239 |
R-free | 0.26440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.653 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
Rmerge | 0.063 | 0.042 | 0.624 |
Total number of observations | 155196 | ||
Number of reflections | 35138 | ||
<I/σ(I)> | 12.9 | ||
Completeness [%] | 98.2 | 98.3 | 78.9 |
Redundancy | 4.4 | 4.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.4M Potassium sodium tartrate tetrahydrate |