6T18

ASR Alternansucrase in complex with oligoalternan

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	2018-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979294
Spacegroup name	P 21 21 21
Unit cell lengths	100.876, 135.654, 239.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.150
R-factor	0.2009
Rwork	0.200
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hvg
RMSD bond length	0.008
RMSD bond angle	1.222
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]	119.710	3.320
High resolution limit [Å]	3.150	3.150
Rmerge	0.094	0.728
Number of reflections	57606	8268
<I/σ(I)>	7.5	1
Completeness [%]	99.9	100
Redundancy	4.4	4.5
CC(1/2)	0.997	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		PEG3350 14% 0.4M NaNO3