6X7Z

Inositol-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)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	45.153, 50.567, 79.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.690 - 1.000
R-factor	0.1251
Rwork	0.125
R-free	0.13130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.014
RMSD bond angle	1.987
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.620	0.940
High resolution limit [Å]	0.920	0.920
Rmerge	0.057	0.560
Number of reflections	111883	1073
<I/σ(I)>	23.44
Completeness [%]	88.6
Redundancy	10.7

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 12 % (w/v) myo- inositol