7T7Y

The crystal structure of family 8 carbohydrate-binding module from Dictyostelium discoideum complexed with iodine atoms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.8
Spacegroup name	P 2 21 21
Unit cell lengths	36.788, 47.267, 79.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.610 - 1.810
R-factor	0.2324
Rwork	0.232
R-free	0.24750
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.5.8)
Phasing software	CRANK2 (2.0.281)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.270	47.270	1.850
High resolution limit [Å]	1.810	9.050	1.810
Rmerge	0.171	0.110	0.498
Rmeas	0.183	0.116	0.593
Rpim	0.062	0.037	0.314
Total number of observations	106102	1240	1909
Number of reflections	12778	139	605
<I/σ(I)>	12	21.3	3.2
Completeness [%]	96.9	99.7	78.9
Redundancy	8.3	8.9	3.2
CC(1/2)	0.973	0.988	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.6 M di-sodium DL-malate