4Y29
Identification of a novel PPARg ligand that regulates metabolism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0050 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.624, 54.514, 66.402 |
| Unit cell angles | 90.00, 107.07, 90.00 |
Refinement procedure
| Resolution | 41.360 - 1.980 |
| R-factor | 0.1791 |
| Rwork | 0.177 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9q |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.069 |
| Data reduction software | SCALEPACK |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 5.370 | 1.980 |
| Rmerge | 0.068 | 0.027 | 0.356 |
| Total number of observations | 110768 | ||
| Number of reflections | 21090 | ||
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 99.9 | 99.7 | 100 |
| Redundancy | 5.3 | 5 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2 M Sodium thiocyanate, 20% w/v PEG 3350 |
