1NYX

Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-08
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	91.546, 62.090, 117.741
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	30.000 * - 2.900 *
R-factor	0.24
Rwork	0.237
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	20.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNX (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.078 *	0.387 *
Total number of observations	104182 *
Number of reflections	16615
Completeness [%]	87.8	45
Redundancy	6.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8	293	Citrate, Tris, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH8.0
2	1	drop	EDTA	0.5 (mM)
3	1	drop	dithiothreitol	5 (mM)
4	1	drop	protein	15 (mg/ml)
5	1	reservoir	Tris	0.1 (M)	pH7.0
6	1	reservoir	PEG5000 MME	30 (%)
7	1	reservoir	ammonium sulfate	0.5 (M)