2Q5G

Ligand binding domain of PPAR delta receptor in complex with a partial agonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	95
Detector technology	CCD
Collection date	2006-02-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	112.577, 65.603, 101.149
Unit cell angles	90.00, 124.05, 90.00

Refinement procedure

Resolution	53.730 - 2.700
R-factor	0.229
Rwork	0.225
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gwx
RMSD bond length	0.014
RMSD bond angle	1.625
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4LDz)
Phasing software	PHASES
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.730	53.730	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.099	0.047	0.373
Total number of observations		4299	4182
Number of reflections	16233
<I/σ(I)>	6.3	13.8	2.1
Completeness [%]	95.7	89.3	98.6
Redundancy	2.53	2.61	2.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K