6X7X

mannose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2016-04-01
Detector	MAR CCD 130 mm
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	45.299, 50.358, 79.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.560 - 1.300
R-factor	0.1595
Rwork	0.158
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j6y
RMSD bond length	0.014
RMSD bond angle	1.666
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.560	1.310
High resolution limit [Å]	1.260	1.260
Rmerge	0.302	0.661
Number of reflections	48977	4287
<I/σ(I)>	4.2
Completeness [%]	98.7
Redundancy	7.7

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 ~30 % (w/v) mannose