3AIC

Crystal Structure of Glucansucrase from Streptococcus mutans

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	98
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	295.520, 214.410, 220.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.770 - 3.110
R-factor	0.21273
Rwork	0.211
R-free	0.24355
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	1.924
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.770	3.029
High resolution limit [Å]	2.950	2.954
Rmerge	0.368	0.368
Number of reflections	278745
Completeness [%]	100.0	100
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.6M ammounium sulfate, 0.1M MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K