3CWD

Molecular recognition of nitro-fatty acids by PPAR gamma

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Detector technology	CCD
Collection date	2005-07-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	84.043, 86.197, 97.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.110 - 2.400
R-factor	0.23572
Rwork	0.233
R-free	0.29002
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.764
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Number of reflections	32973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1