7SQA
PPAR gamma LBD bound to SR10221 and SMRT corepressor motif
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-23 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.143, 59.700, 92.938 |
Unit cell angles | 90.00, 105.99, 90.00 |
Refinement procedure
Resolution | 41.884 - 2.499 |
R-factor | 0.2366 |
Rwork | 0.234 |
R-free | 0.28550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pdz |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.870 | 43.870 | 2.600 |
High resolution limit [Å] | 2.499 | 9.010 | 2.500 |
Rmerge | 0.141 | 0.046 | 1.158 |
Rmeas | 0.169 | 0.055 | 1.373 |
Rpim | 0.092 | 0.030 | 0.731 |
Total number of observations | 1656 | 8376 | |
Number of reflections | 22167 | 500 | 2494 |
<I/σ(I)> | 4.5 | 15.7 | 0.8 |
Completeness [%] | 98.2 | 95.7 | 98.6 |
Redundancy | 3.3 | 3.3 | 3.4 |
CC(1/2) | 0.991 | 0.995 | 0.431 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 28% PEG 8,000, 0.1M Ammonium sulphate, 0.1M MES pH 6.5 |