9F7W
Humman PPARgamma ligand binding domain in complex with co-activator 1alpha peptide and bisphenol A (BPA)
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) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.800, 54.190, 66.472 |
Unit cell angles | 90.00, 107.03, 90.00 |
Refinement procedure
Resolution | 41.880 - 1.250 |
R-factor | 0.1634 |
Rwork | 0.162 |
R-free | 0.18890 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 0.905 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | REFMAC |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.880 | 1.360 |
High resolution limit [Å] | 1.250 | 1.250 |
Number of reflections | 118830 | 3027 |
<I/σ(I)> | 12.8 | |
Completeness [%] | 98.9 | 99 |
Redundancy | 6.9 | |
CC(1/2) | 0.990 | 0.615 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292.15 | 20% w/v PEG 3350, 0.2 M magnesium acetate, 137 mM 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 |