6X7T

Allose-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	2020-02-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	45.470, 50.270, 79.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.410 - 1.000
R-factor	0.1272
Rwork	0.127
R-free	0.13020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.011
RMSD bond angle	1.558
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.410	0.990
High resolution limit [Å]	0.960	0.960
Rmerge	0.058	0.638
Number of reflections	106122	7281
<I/σ(I)>	23.1
Completeness [%]	95.5
Redundancy	11.2

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) Allose