3Q6A

X-ray crystal structure of the protein SSP2350 from Staphylococcus saprophyticus, Northeast structural genomics consortium target SyR116

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	64.570, 66.451, 128.657
Unit cell angles	90.00, 90.12, 90.00

Refinement procedure

Resolution	43.590 - 1.800
R-factor	0.218
Rwork	0.218
R-free	0.26200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.800	1.800
Rmerge	0.065
Number of reflections	107976
Completeness [%]	98.2	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	Lithium Chloride 0.1 M, MES 0.1 M, PEG 8000 40%, VAPOR DIFFUSION, SITTING DROP, temperature 277K