5VB5
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-03 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.468, 60.468, 154.997 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.280 - 2.226 |
R-factor | 0.1952 |
Rwork | 0.193 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.534 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 155.000 | 2.233 |
High resolution limit [Å] | 2.226 | 2.226 |
Rmerge | 0.099 | 1.490 |
Number of reflections | 14904 | |
<I/σ(I)> | 15.4 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.3 | 11.9 |
CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 4000 (2-8%), NACL 0.5M, PIPES (0.1M) |