3WG4

Crystal structure of Agrocybe cylindracea galectin mutant (N46A) with blood type A antigen tetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 65
Unit cell lengths	102.824, 102.824, 74.578
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.680 - 1.600
R-factor	0.14911
Rwork	0.148
R-free	0.17485
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ww7
RMSD bond length	0.008
RMSD bond angle	1.258
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.070	0.055	0.427
Number of reflections	59122
<I/σ(I)>	10.6
Completeness [%]	99.9	99.1	100
Redundancy	11.3	10.8	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30% PEG 1500, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K