9F7X
Human PPARgamma ligand binding domain in complex with co-activator 1alpha peptide and bisphenol B (BPB)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9755 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.358, 54.615, 66.722 |
Unit cell angles | 90.00, 93.60, 90.00 |
Refinement procedure
Resolution | 42.230 - 1.630 |
R-factor | 0.2553 |
Rwork | 0.249 |
R-free | 0.28990 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.531 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.230 | 1.800 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 28352 | 731 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 98.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.990 | 0.437 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292.15 | 20% w/v PEG 3350, 0.337 M sodium chloride, 8.1 mM disodium hydrogen phosphate, 1.5 mM potassium dihydrogen phosphate, 2.7 mM potassium chloride, 1 mM peptide, 15 mM BPB, 1.5 % DMSO |