6X7Y

N-acetyl-glucosamine-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	2019-12-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9615
Spacegroup name	P 21 21 21
Unit cell lengths	45.240, 50.650, 79.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.710 - 1.000
R-factor	0.1277
Rwork	0.127
R-free	0.14140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.016
RMSD bond angle	1.682
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.710	1.030
High resolution limit [Å]	0.960	0.960
Rmerge	0.063	1.035
Number of reflections	106951	7708
<I/σ(I)>	22.14
Completeness [%]	95.6
Redundancy	11.1

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) N-acetyl-glucosamine