2ZNP
Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204
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 | 2007-10-06 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.492, 93.149, 96.370 |
| Unit cell angles | 90.00, 97.48, 90.00 |
Refinement procedure
| Resolution | 38.010 - 3.000 |
| R-factor | 0.23 |
| Rwork | 0.230 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b50 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.088 | 0.297 |
| Number of reflections | 13670 | |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 97.8 | 84.9 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 14% PEG8000, 200mM KCL, 40mM Bistris ethane, 6% propanediol, 0.5% n-heptyl-beta-D-glucopyranoside, 1mM EDTA, 1mM CaCl2, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
