6L89
Human PPARgamma ligand binding domain complexed with Butyrolactone 1
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 | PIXEL |
| Collection date | 2019-06-18 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.623, 61.124, 119.762 |
| Unit cell angles | 90.00, 103.64, 90.00 |
Refinement procedure
| Resolution | 48.975 - 2.100 |
| Rwork | 0.229 |
| R-free | 0.26930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wmh |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.237 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.032 | 0.710 |
| Number of reflections | 38329 | 1920 |
| <I/σ(I)> | 39.3 | |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 4.6 | 4.4 |
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 |
