4ZN5

YopH W354Y Yersinia enterocolitica PTPase bond with Divanadate glycerol ester in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	195
Detector technology	CCD
Collection date	2012-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	54.359, 58.003, 90.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.120
R-factor	0.1292
Rwork	0.129
R-free	0.14500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f99
Data reduction software	AUTOMAR
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.040	0.218
Number of reflections	106319
<I/σ(I)>	46.7	6.1
Completeness [%]	96.2	78
Redundancy	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 3350, HEPES