2I42

Crystal structure of Yersinia protein tyrosine phosphatase complexed with vanadate, a transition state analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-01-01
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	56.390, 49.660, 100.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.200
R-factor	0.17
Rwork	0.170
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB entries 1YTW and 1YTS
RMSD bond length	0.018
RMSD bond angle	2.200
Data scaling software	XSCALE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.300
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.250
Number of reflections	13593
Completeness [%]	82.0	74.3
Redundancy	4.02	2.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	400 mM NaCl, 14% PEG 4K, 5% 2-proponol .15% BME, 100mM Tris HCl pH 8.5, 1mM vanadate, VAPOR DIFFUSION, HANGING DROP, temperature 298K