6Y3U
Crystal structure of PPARgamma in complex with compound (R)-16
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 | 2020-02-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99998 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 62.059, 62.059, 167.021 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.880 - 2.620 |
R-factor | 0.2083 |
Rwork | 0.206 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6avi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.177 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.880 | 43.880 | 2.760 |
High resolution limit [Å] | 2.620 | 8.290 | 2.620 |
Rmerge | 0.058 | 0.031 | 0.932 |
Rmeas | 0.067 | 0.034 | 1.070 |
Rpim | 0.025 | 0.013 | 0.383 |
Number of reflections | 10478 | 397 | 1485 |
<I/σ(I)> | 15.3 | ||
Completeness [%] | 99.8 | 96.4 | 100 |
Redundancy | 7.1 | 6 | 7.6 |
CC(1/2) | 0.999 | 0.999 | 0.742 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 33% PEG 3350, 0.1 M sodium citrate |