6C5T
PPARg LBD bound to SR11023
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 63.640, 63.640, 365.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.710 - 2.750 |
| R-factor | 0.2558 |
| Rwork | 0.254 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r06 |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.457 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11_2567) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.710 | 19.710 | 2.920 |
| High resolution limit [Å] | 2.750 | 8.250 | 2.750 |
| Rmerge | 0.241 | 0.038 | 2.586 |
| Rmeas | 0.256 | 0.040 | 2.738 |
| Rpim | 0.080 | 0.014 | 0.831 |
| Total number of observations | 100208 | ||
| Number of reflections | 12318 | 534 | 1932 |
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 99.1 | 92.4 | 99.7 |
| Redundancy | 8.1 | 7.7 | 8.6 |
| CC(1/2) | 0.995 | 0.999 | 0.136 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 20% PEG 3350 + 0.2M ammonium citrate 7.0 |
