3ADS
Human PPARgamma ligand-binding domain in complex with indomethacin
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 | 2007-11-21 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.045, 61.031, 118.403 |
Unit cell angles | 90.00, 102.99, 90.00 |
Refinement procedure
Resolution | 45.300 - 2.250 |
Rwork | 0.228 |
R-free | 0.27700 |
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 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.072 | 0.275 |
Number of reflections | 29605 | |
<I/σ(I)> | 20.1 | |
Completeness [%] | 95.6 | |
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 |