1GWZ

CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE PROTEIN TYROSINE PHOSPHATASE SHP-1

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	85
Detector technology	IMAGE PLATE
Collection date	1997-05
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	41.820, 87.780, 43.000
Unit cell angles	90.00, 117.40, 90.00

Refinement procedure

Resolution	6.000 - 2.500
R-factor	0.209
Rwork	0.209
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PTP-1B
RMSD bond length	0.014
RMSD bond angle	28.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.85)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.082 *
Number of reflections	8779
<I/σ(I)>	9.3	4.1
Completeness [%]	99.7	71.8
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG10000	15 (%)
2	1	reservoir	HEPES	0.1 (M)