3WG1

Crystal structure of Agrocybe cylindracea galectin with lactose

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)	1.000
Spacegroup name	P 61
Unit cell lengths	125.368, 125.368, 56.589
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.220 - 1.900
R-factor	0.1744
Rwork	0.173
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ww7
RMSD bond length	0.014
RMSD bond angle	1.883
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.062	0.044	0.467
Number of reflections	40174
<I/σ(I)>	14.5
Completeness [%]	100.0	99.6	100
Redundancy	11.3	10.7	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	30% PEG 4000, 0.2M Ammonium acetate, 0.1M Sodium citrate, pH 5.6, vapor diffusion, hanging drop, temperature 293K