3VJI
Human PPAR gamma ligand binding domain in complex with JKPL53
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.150, 60.610, 118.771 |
Unit cell angles | 90.00, 103.79, 90.00 |
Refinement procedure
Resolution | 19.990 - 2.610 |
R-factor | 0.21579 |
Rwork | 0.212 |
R-free | 0.27967 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2prg |
RMSD bond length | 0.013 |
RMSD bond angle | 1.311 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.040 | 0.217 |
Number of reflections | 16650 | |
<I/σ(I)> | 14.8 | 4.4 |
Completeness [%] | 83.8 | 74.8 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.8M Sodium Citrate, 0.1M HEPES (pH7.5), VAPOR DIFFUSION, SITTING DROP, temperature 293K |