3ADU
Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-23 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.952, 60.603, 118.193 |
| Unit cell angles | 90.00, 104.03, 90.00 |
Refinement procedure
| Resolution | 43.900 - 2.770 |
| Rwork | 0.204 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prg |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.046 | 0.126 |
| Number of reflections | 15752 | |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 93.7 | |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 0.8M Sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
