6M6T

Amylomaltase from Streptococcus agalactiae in complex with acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999999
Spacegroup name	P 21 21 21
Unit cell lengths	103.748, 216.072, 224.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 2.750
R-factor	0.2095
Rwork	0.205
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tz7
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.822	29.820	2.800
High resolution limit [Å]	2.750	15.060	2.750
Rmerge	0.136	0.066	0.840
Rmeas	0.147	0.073	0.924
Rpim	0.055	0.030	0.377
Total number of observations		4371	37365
Number of reflections	129800	761	6317
<I/σ(I)>	10.5	21.5	2.1
Completeness [%]	98.9	84	98.1
Redundancy	7.1	5.7	5.9
CC(1/2)	0.996	0.995	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	289	100 mM Tris, 100 mM Magnesium Formate, 15% PEG 8000