6XAQ

Alpha-methyl-glucose-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	2019-09-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	45.107, 50.477, 79.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.570 - 1.200
R-factor	0.1629
Rwork	0.163
R-free	0.16650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.013
RMSD bond angle	1.546
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.570	1.220
High resolution limit [Å]	1.180	1.180
Rpim		0.110
Number of reflections	60065	5868
<I/σ(I)>	21.7
Completeness [%]	99.7
Redundancy	12.6

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) alpha-methyl-glucose