7CXE
The ligand-free structure of human PPARgamma LBD R280C mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-10 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.936, 61.281, 119.502 |
| Unit cell angles | 90.00, 102.42, 90.00 |
Refinement procedure
| Resolution | 27.873 - 2.500 |
| Rwork | 0.216 |
| R-free | 0.26450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l8b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.216 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 21448 | 1063 |
| <I/σ(I)> | 19.43 | 2.06 |
| Completeness [%] | 91.0 | 89.1 |
| Redundancy | 5.2 | 5.3 |
| CC(1/2) | 1.000 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.2 M Sodium citrate tribasic dihydrate, 0.1 M HEPES pH 7.5 |
