6DR9

Crystal Structure of the YopH PTP1B Chimera 3 PTPase apo form

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	2016-04-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127
Spacegroup name	P 21 21 21
Unit cell lengths	49.808, 53.772, 103.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 1.945
R-factor	0.1779
Rwork	0.176
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4YAA
RMSD bond length	0.003
RMSD bond angle	0.616
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	2.020
High resolution limit [Å]	1.945	4.200	1.950
Rmerge	0.177	0.050	1.732
Rmeas	0.184	0.052	1.801
Rpim	0.050	0.014	0.487
Number of reflections	20100	2251	1895
<I/σ(I)>	4.8		1.4
Completeness [%]	95.6	99.2	92.1
Redundancy	12.6	13.4	12.5
CC(1/2)		0.999	0.606

Crystallization Conditions

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