4XUM
PPARgamma ligand binding domain in complex with indomethacin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.4586 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.040, 62.140, 118.540 |
| Unit cell angles | 90.00, 102.13, 90.00 |
Refinement procedure
| Resolution | 36.337 - 2.400 |
| R-factor | 0.1905 |
| Rwork | 0.188 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.076 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 115.893 | 36.337 | 2.530 |
| High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
| Rmerge | 0.039 | 0.502 | |
| Rmeas | 0.079 | ||
| Rpim | 0.038 | 0.022 | 0.273 |
| Total number of observations | 116570 | 3463 | 16848 |
| Number of reflections | 26080 | ||
| <I/σ(I)> | 12.1 | 26.5 | 2.8 |
| Completeness [%] | 99.8 | 94.9 | 100 |
| Redundancy | 4.5 | 4.1 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.95 M sodium citrate and 0.1 M HEPES pH 8.0 |
