3TY0
Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.510, 61.448, 119.914 |
| Unit cell angles | 90.00, 103.39, 90.00 |
Refinement procedure
| Resolution | 37.740 - 2.000 |
| R-factor | 0.2356 |
| Rwork | 0.234 |
| R-free | 0.27280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.250 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER-TNT (BUSTER 2.9.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.045 | 0.028 | 0.327 |
| Number of reflections | 35537 | ||
| <I/σ(I)> | 16.6 | ||
| Completeness [%] | 79.1 | 98 | 20.5 |
| Redundancy | 3.2 | 3.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
