4PXS

Human GKRP bound to AMG-0265 (N-[(R)-(2-CHLOROPHENYL){7-[4-(2-HYDROXYPROPAN-2-YL) PYRIDIN-2-YL]-1-BENZOTHIOPHEN-2-YL}METHYL]CYCLOPROPANESULFONAMIDE) and Sorbitol-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-07
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 65
Unit cell lengths	148.630, 148.630, 133.622
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.000 - 2.600
R-factor	0.23798
Rwork	0.234
R-free	0.30720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ly9
RMSD bond length	0.012
RMSD bond angle	1.584
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.000
High resolution limit [Å]	2.600
Number of reflections	47141
Completeness [%]	93.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M Bis-tris, 0.2M NaI, 16% PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K