7AHJ

Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-15
Detector	MAR CCD 130 mm
Wavelength(s)	0.87260
Spacegroup name	C 1 2 1
Unit cell lengths	92.960, 61.240, 118.510
Unit cell angles	90.00, 103.17, 90.00

Refinement procedure

Resolution	28.920 - 2.100
R-factor	0.2021
Rwork	0.200
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.008
RMSD bond angle	1.001
Data reduction software	MOSFLM (7.0.4)
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.940	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.329
Number of reflections	38079	5528
<I/σ(I)>	10.5	3.3
Completeness [%]	99.9	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M TRIS pH8 0.92-1.2M Sodium Citrate 0.1mM TCEP 0.5 micro molar Farglitazar.