2Q6S
2.4 angstrom crystal structure of PPAR gamma complexed to BVT.13 without co-activator peptides
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9764 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.348, 62.033, 118.132 |
Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.400 |
R-factor | 0.212 |
Rwork | 0.206 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1knu |
RMSD bond length | 0.012 |
RMSD bond angle | 1.276 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.056 | 0.173 |
Number of reflections | 23288 | |
<I/σ(I)> | 26.8 | 0.076 |
Completeness [%] | 91.4 | 59.1 |
Redundancy | 6.3 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4M sodium citrate, 0.125 M Tris 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |