6XA5

Trehalose-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	45.270, 50.640, 79.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 1.030
R-factor	0.119
Rwork	0.118
R-free	0.13080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.008
RMSD bond angle	1.224
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	1.060
High resolution limit [Å]	1.030	1.030
Number of reflections	75689	4536
<I/σ(I)>	27.95
Completeness [%]	84.2
Redundancy	7.5
CC(1/2)	0.990	0.880

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) trehalose