6XAC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2016-04-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	45.224, 50.012, 78.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 1.220
R-factor	0.1354
Rwork	0.134
R-free	0.15990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.016
RMSD bond angle	1.689
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.240	1.240
High resolution limit [Å]	1.220	1.220
Number of reflections	51321	1707
<I/σ(I)>	28.9
Completeness [%]	95.1
Redundancy	7.2
CC(1/2)	0.998	0.985

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) galactose