5O7B

CRYSTAL STRUCTURE OF THE SLR0328 TYROSINE PHOSPHATASE WZB FROM SYNECHOCYSTIS SP. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 31 2 1
Unit cell lengths	73.408, 73.408, 68.067
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.460 - 2.281
R-factor	0.2267
Rwork	0.224
R-free	0.25290
Starting model (for MR)	3ido
RMSD bond length	0.007
RMSD bond angle	0.999
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.600	46.460	2.360
High resolution limit [Å]	2.280	8.830	2.280
Rmerge	0.120	0.040	0.836
Rmeas		0.043	0.970
Rpim		0.017	0.362
Number of reflections	10021
<I/σ(I)>	8.2
Completeness [%]	100.0	99.6	100
Redundancy	6.7	5.8	7.2
CC(1/2)		0.998	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.7	293	ADA, ammonium sulfate