8DKN
PPARg bound to T0070907 and Co-R peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-03-19 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.208, 81.890, 48.146 |
| Unit cell angles | 90.00, 103.79, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.2299 |
| Rwork | 0.227 |
| R-free | 0.29730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2prg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.816 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.077 | 0.063 | 0.496 |
| Rmeas | 0.090 | 0.075 | 0.592 |
| Rpim | 0.047 | 0.040 | 0.318 |
| Total number of observations | 84160 | ||
| Number of reflections | 22981 | 2333 | 2270 |
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 99.8 | 99 | 100 |
| Redundancy | 3.7 | 3.6 | 3.4 |
| CC(1/2) | 0.987 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 296 | 2+2 uL drops made from a 2:2:1 molar ratio of T007:NCOR peptide:PPARg and well solution containing 1.8-2.2 M (NH3)2SO4, 0.2 M Li2SO4 and 100 mM CAPS pH 9.5. Protein formulated at 20 mg mL-1 in 20 mM Tris, pH 8.0, 100 mM NaCl, and 1mM TCEP |
