3QCJ

Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid

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	2006-06-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	75.700, 75.700, 152.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.120 - 2.260
R-factor	0.215
Rwork	0.214
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qcd
RMSD bond length	0.006
RMSD bond angle	1.300
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	2.340
High resolution limit [Å]	2.260	2.260
Rmerge	0.109	0.416
Number of reflections	23970
<I/σ(I)>	14.5	5.4
Completeness [%]	98.2	96.2
Redundancy	8.9	8.7

Crystallization Conditions

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