7KCO
ROR gamma in complex with SCR2 and compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-31 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.193, 86.114, 91.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 1.860 |
R-factor | 0.1905 |
Rwork | 0.190 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | In house |
RMSD bond length | 0.008 |
RMSD bond angle | 0.850 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7 (19-MAR-2020)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.557 | 91.557 | 1.940 |
High resolution limit [Å] | 1.860 | 6.440 | 1.860 |
Rmerge | 0.022 | 0.701 | |
Rmeas | 0.097 | 0.025 | 0.846 |
Rpim | 0.038 | 0.010 | 0.371 |
Total number of observations | 273337 | 7474 | 24096 |
Number of reflections | 44020 | 1170 | 5131 |
<I/σ(I)> | 15.6 | 46.5 | 2.4 |
Completeness [%] | 98.7 | 96.9 | 95.2 |
Redundancy | 6.2 | 6.4 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | PEG 3350, Ammonium Tartrate |