5GTO
Human PPARgamma ligand binding dmain complexed with S35
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 131.823, 53.286, 53.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.21237 |
Rwork | 0.211 |
R-free | 0.24247 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vn2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.482 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.591 | |
Number of reflections | 22810 | |
<I/σ(I)> | 41.1 | 3.6 |
Completeness [%] | 99.5 | 100 |
Redundancy | 5.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | 2.2 M sodium malonate (pH 7.0) |