2IBO

X-ray Crystal Structure of Protein SP2199 from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR31

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915, 0.97942, 0.96783
Spacegroup name	P 43 21 2
Unit cell lengths	91.901, 91.901, 156.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.340 - 2.800
R-factor	0.243
Rwork	0.243
R-free	0.28500
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.096	0.493
Number of reflections	30208
<I/σ(I)>	10.7	11.7
Completeness [%]	98.7	98.9
Redundancy	10.4	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	100 mM MES, 18% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K