9GVT

Human PPAR-gamma ligand binding domain in complex with AK176_D

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	92.730, 61.200, 118.362
Unit cell angles	90.00, 102.22, 90.00

Refinement procedure

Resolution	33.020 - 2.300
R-factor	0.2146
Rwork	0.213
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.073
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2-5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.020	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	29022	2810
<I/σ(I)>	8.1	1.2
Completeness [%]	100.0
Redundancy	7.5
CC(1/2)	0.997	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.9M-1.2M sodium citrate tribasic dihydrate, 0.1M sodium cacodylate