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 |
