6X8A

Sucrose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2015-09-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	45.230, 50.610, 79.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.710 - 1.060
R-factor	0.1427
Rwork	0.142
R-free	0.16250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.011
RMSD bond angle	1.442
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.710	1.090
High resolution limit [Å]	1.060	1.060
Rmeas	0.106
Number of reflections	61637	3876
<I/σ(I)>	15.26
Completeness [%]	74.6
Redundancy	8.1
CC(1/2)		0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	298	0.2 M calcium chloride, 0.1 M HEPES (pH 7), 20% (v/v) polyethylene glycol 3350 and ~30 % (w/v) sucrose