4WMY

Structure of Human intelectin-1 in complex with allyl-beta-galactofuranose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00394
Spacegroup name	P 21 3
Unit cell lengths	117.865, 117.865, 117.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.586 - 1.601
R-factor	0.1559
Rwork	0.155
R-free	0.17960
RMSD bond length	0.010
RMSD bond angle	1.119
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.400	30.400	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.078	0.045	0.773
Rmeas	0.082	0.047	0.811
Rpim	0.024	0.014	0.245
Total number of observations	801024
Number of reflections	71869
<I/σ(I)>	9.7
Completeness [%]	100.0	99.9	100
Redundancy	11.1	10.9	10.9
CC(1/2)		0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	100 mM Bis-Tris, 25% PEG 3350