8DK4
Peroxisome proliferator-activated receptor gamma in complex with VSP-51-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-10 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 56.200, 88.150, 122.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.184 - 2.600 |
R-factor | 0.2311 |
Rwork | 0.229 |
R-free | 0.25540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fm6 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.390 | 47.390 | 2.720 |
High resolution limit [Å] | 2.600 | 9.010 | 2.600 |
Rmerge | 0.105 | 0.038 | 1.421 |
Rmeas | 0.114 | 0.041 | 1.530 |
Rpim | 0.043 | 0.017 | 0.562 |
Total number of observations | 69144 | 1555 | 8449 |
Number of reflections | 9684 | 273 | 1155 |
<I/σ(I)> | 6.3 | 10.2 | 1.7 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.1 | 5.7 | 7.3 |
CC(1/2) | 0.998 | 0.997 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M of trisodium citrate, pH 5.5, 20% w/v PEG3350 |