3AIE

Crystal Structure of glucansucrase from Streptococcus mutans

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	98
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	293.880, 215.416, 218.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.20448
Rwork	0.203
R-free	0.23566
Structure solution method	MAD
RMSD bond length	0.030
RMSD bond angle	2.275
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]	50.000	2.157
High resolution limit [Å]	2.100	2.102
Rmerge		0.212
Number of reflections	753230
Completeness [%]	99.6	98.43
Redundancy	7

Crystallization Conditions

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