6D3E
PPARg LBD in Complex with SR1988
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 | CCD |
Collection date | 2013-08-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.040, 62.510, 118.650 |
Unit cell angles | 90.00, 102.32, 90.00 |
Refinement procedure
Resolution | 39.542 - 2.395 |
R-factor | 0.2084 |
Rwork | 0.206 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r06 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.420 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11_2567) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.960 | 2.490 |
High resolution limit [Å] | 2.395 | 2.395 |
Rmerge | 0.125 | 1.276 |
Rmeas | 0.136 | 1.404 |
Rpim | 0.054 | 0.575 |
Total number of observations | 13591 | |
Number of reflections | 26013 | 2563 |
<I/σ(I)> | 11.8 | 1.8 |
Completeness [%] | 98.3 | 93 |
Redundancy | 6 | 5.3 |
CC(1/2) | 0.998 | 0.601 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 1.2M sodium citrate |