1YTW

YERSINIA PTPASE COMPLEXED WITH TUNGSTATE

Experimental procedure

Detector technology	AREA DETECTOR
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	56.300, 49.800, 100.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.400
R-factor	0.179
Rwork	0.179
Structure solution method	MIR
RMSD bond length	0.019
RMSD bond angle	25.200 *
Data reduction software	MADNES
Data scaling software	XSCALE
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.400 *	2.400 *
Rmerge	0.107	0.274 *
Number of reflections	9875
Completeness [%]	89.0
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5	296	THE CATALYTIC DOMAIN (RESIDUES 163 - 468) OF YOP51 WAS CRYSTALLIZED AT 20 MG/ML WITH 1 MM SODIUM TUNGSTATE AT 23 DEGREES CELSIUS, BY HANGING DROP VAPOR DIFFUSION AGAINST A WELL SOLUTION OF 22% POLYETHYLENE GLYCOL (MW 4000), 200 MM LITHIUM SULFATE, 10% ISOPROPANOL, 100 MM TRIS HCL (PH 8.5) AND 0.1% BETA-MERCAPTOETHANOL., vapor diffusion - hanging drop, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PTPase	20 (mg/ml)
2	1	drop	sodium tungstate	1 (mM)
3	1	drop	precipitant
4	1	reservoir	PEG4000	22 (%(w/v))	precipitant
5	1	reservoir		200 (mM)	precipitant
6	1	reservoir	isopropanol	10 (%)	precipitant
7	1	reservoir	beta-mercaptoethanol	0.1 (%)	precipitant
8	1	reservoir	Tris-HCl	100 (mM)	precipitant