6XEE

Crystal Structure of the PTP1B YopH WPD loop Chimera 4 apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	88.402, 88.402, 103.949
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.676 - 2.501
R-factor	0.1752
Rwork	0.173
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qkp
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.137	0.082	0.649
Rmeas	0.142	0.085	0.696
Rpim	0.033	0.020	0.243
Total number of observations	261786
Number of reflections	16320	1728	1566
<I/σ(I)>	7.2
Completeness [%]	97.7	96.2	95.6
Redundancy	16	17.6	7.2
CC(1/2)		0.998	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	295	tris hydrochloride pH 7.8, magnesium acetate tetrahydrate, PEG 8000 and benzamidine