6T16

ASR Alternansucrase in complex with panose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9979
Spacegroup name	P 21 21 21
Unit cell lengths	101.001, 134.304, 235.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	117.690 - 3.100
R-factor	0.2244
Rwork	0.223
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hvg
RMSD bond length	0.010
RMSD bond angle	1.282
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]	117.690	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.104	0.781
Number of reflections	58714	41304
<I/σ(I)>	6.7
Completeness [%]	99.7	99.8
Redundancy	4.7
CC(1/2)	0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	285	PEG3350 14% 0.4M NaNO3