3SZ1
Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid
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 | 2009-07-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.4586 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.260, 62.150, 119.130 |
Unit cell angles | 90.00, 101.67, 90.00 |
Refinement procedure
Resolution | 30.028 - 2.300 |
R-factor | 0.2083 |
Rwork | 0.207 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.637 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 116.668 | 31.075 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.040 | 0.474 | |
Total number of observations | 6739 | 30502 | |
Number of reflections | 29570 | ||
<I/σ(I)> | 14.3 | 13.9 | 1.6 |
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 7.2 | 6.9 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | Sodium Citrate 0.90 M, HEPES 0.1 M, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |