6DRB

Crystal Structure of the YopH PTP1B WPD loop Chimera 3 PTPase bound to tungstate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	49.743, 54.920, 97.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.868 - 2.745
R-factor	0.2153
Rwork	0.213
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4YAA
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.745	5.920	2.750
Rmerge	0.155	0.071	1.499
Rmeas	0.164	0.075	1.587
Rpim	0.053	0.026	0.515
Number of reflections	7417	827	698
<I/σ(I)>	5.6		1.5
Completeness [%]	99.9	99.4	100
Redundancy	9.5	8.4	9.3
CC(1/2)		0.994	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	298	0.1M Hepes pH7.5, 24% PEG 3350