1YS9

Crystal structure of phosphatase SPy1043 from Streptococcus pyogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-23
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	C 2 2 2
Unit cell lengths	119.919, 120.136, 58.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.390 - 2.560
R-factor	0.226
Rwork	0.226
R-free	0.25200
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.650
High resolution limit [Å]	2.560	2.560
Number of reflections	13446
Completeness [%]	96.4	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	Ammonium Citrate, BisTris, pH 6.5, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	6.5	293	Ammonium Citrate, BisTris, pH 6.5, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	6.5	293	Ammonium Citrate, BisTris, pH 6.5, VAPOR DIFFUSION, temperature 293K