3F9A

W354F Yersinia enterocolitica PTPase complexed with tungstate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	82
Detector technology	IMAGE PLATE
Collection date	2008-02-16
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	54.431, 58.263, 90.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.410 - 1.690
R-factor	0.175
Rwork	0.173
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ypt
RMSD bond length	0.011
RMSD bond angle	1.238
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.410	26.410	1.750
High resolution limit [Å]	1.690	3.640	1.690
Rmerge	0.035	0.024	0.101
Number of reflections	31969
<I/σ(I)>		89.9	12.8
Completeness [%]	96.9	99.7	93.2
Redundancy	7.91	7.64	7.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Drop: 2uL of protein solution (20mg/mL in 100mM Sodium acetate, 100mM NaCl, 1mM EDTA, 1mM DTT, pH 5.7), 0.5uL of 55mM Sodium tungstate, and 3uL of precipitant solution (12-19% PEG 3350, 0.1M Hepes pH 7.5). Well: 1000uL of precipitant solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K