3QCH

Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-04-24
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 32 2 1
Unit cell lengths	75.800, 75.800, 152.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.960 - 2.400
R-factor	0.241
Rwork	0.240
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qcd
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000 ((DENZO))
Data scaling software	HKL-2000 ((SCALEPACK))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.186	0.651
Number of reflections	20534
<I/σ(I)>	9	3.5
Completeness [%]	99.8	100
Redundancy	7.9	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	277	pH 7.0, vapor diffusion, temperature 277K