4Z6B

YopH W354H Yersinia enterocolitica PTPase in the 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]	100
Detector technology	CCD
Collection date	2012-07-18
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	40.000 - 1.200
R-factor	0.141
Rwork	0.140
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f99
RMSD bond length	0.009
RMSD bond angle	1.345
Data reduction software	AUTOMAR
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.096	0.530
Number of reflections	90707
<I/σ(I)>	24.9	5.2
Completeness [%]	99.4	97.4
Redundancy	14.1	12.5

Crystallization Conditions

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