6SYQ

ASR Alternansucrase in complex with isomaltotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	100.723, 135.648, 238.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.470 - 3.000
R-factor	0.2027
Rwork	0.201
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hvg
RMSD bond length	0.010
RMSD bond angle	1.308
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.470	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.076	0.844
Number of reflections	61391	9576
<I/σ(I)>	8.5
Completeness [%]	92.4	100
Redundancy	5.7
CC(1/2)	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	PEG3350 14% 0.4M NaNO3