6DT6

Crystal Structure of the YopH PTP1B Chimera 3 PTPase bound to vanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127
Spacegroup name	P 21 21 21
Unit cell lengths	49.125, 54.781, 96.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.573 - 2.101
R-factor	0.177
Rwork	0.174
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4YAA
RMSD bond length	0.008
RMSD bond angle	0.876
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.152	0.076	0.956
Rmeas	0.171	0.087	1.082
Rpim	0.077	0.040	0.494
Number of reflections	15742	1697	1529
<I/σ(I)>	5.6		1.6
Completeness [%]	99.6	99.1	99.8
Redundancy	4.7	4.4	4.4
CC(1/2)		0.992	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	298	Hepes, PEG 3350