9MAH

PPARG-Spermine analogs

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999990
Spacegroup name	C 1 2 1
Unit cell lengths	89.997, 62.460, 118.055
Unit cell angles	90.00, 100.63, 90.00

Refinement procedure

Resolution	48.650 - 2.100
Rwork	0.184
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.566
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.650	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	37104	2993
<I/σ(I)>	10.6
Completeness [%]	98.4
Redundancy	6.5
CC(1/2)	0.995	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M Na3citrate, 0.1 M Imidazole pH 8.0