6DR7

YopH PTP1B WPD loop Chimera 2 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	49.697, 54.731, 96.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.186 - 1.849
R-factor	0.1753
Rwork	0.173
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4YAA
RMSD bond length	0.006
RMSD bond angle	0.793
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	1.920
High resolution limit [Å]	1.849	3.990	1.850
Rmerge	0.158	0.086	1.615
Rmeas	0.167	0.092	1.712
Rpim	0.054	0.030	0.561
Number of reflections	23225	2504	2256
<I/σ(I)>	5.9		1.6
Completeness [%]	100.0	99.8	100
Redundancy	9.2	8.8	9.1
CC(1/2)		0.996	0.607

Crystallization Conditions

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