9CK0
Cocrystal of PPARg LBD and NFKBIB / IKBB peptide with agonist GW1929
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.530, 89.500, 121.545 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.270 - 2.600 |
R-factor | 0.2546 |
Rwork | 0.250 |
R-free | 0.29580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.271 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.270 | 2.693 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmeas | 0.140 | 0.640 |
Number of reflections | 9494 | 879 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 98.3 | |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.2 M LIthium sulfate, 0.1 M Tris pH 8.5, 16% (w/v) PEG 4000 |