2QBQ

Crystal structure of ptp1b-inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2002-06-17
Detector	RIGAKU RAXIS IV
Spacegroup name	P 31 2 1
Unit cell lengths	88.345, 88.345, 104.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.194
Rwork	0.194
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.130
High resolution limit [Å]	2.100	2.100
Number of reflections	27473
Completeness [%]	98.4	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		17% PEG 4000, 0.15M MGCL2, 0.1M HEPES, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K, pH 7.00