4YAA

YopH W354Y Yersinia enterocolitica PTPase apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-3
Synchrotron site	SSRL
Beamline	BL9-3
Temperature [K]	194
Detector technology	CCD
Collection date	2012-02-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	52.888, 60.512, 89.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.130 - 1.050
R-factor	0.129
Rwork	0.128
R-free	0.14000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f99
RMSD bond length	0.008
RMSD bond angle	1.317
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	1.090
High resolution limit [Å]	1.050	1.050
Rmerge	0.036	0.414
Number of reflections	133901
<I/σ(I)>	48.3	4.7
Completeness [%]	99.7	100
Redundancy	8.9	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	peg 3350, HEPES