3SZ1

Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4586
Spacegroup name	C 1 2 1
Unit cell lengths	92.260, 62.150, 119.130
Unit cell angles	90.00, 101.67, 90.00

Refinement procedure

Resolution	30.028 - 2.300
R-factor	0.2083
Rwork	0.207
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.637
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	116.668	31.075	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.040	0.474
Total number of observations		6739	30502
Number of reflections	29570
<I/σ(I)>	14.3	13.9	1.6
Completeness [%]	100.0	98.7	100
Redundancy	7.2	6.9	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	Sodium Citrate 0.90 M, HEPES 0.1 M, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K