3WG2

Crystal structure of Agrocybe cylindracea galectin mutant (N46A)

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 61
Unit cell lengths	124.925, 124.925, 56.967
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.390 - 2.200
R-factor	0.2127
Rwork	0.211
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ww7
RMSD bond length	0.006
RMSD bond angle	1.067
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	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.076	0.058	0.430
Number of reflections	25947
<I/σ(I)>	12
Completeness [%]	99.8	98.3	100
Redundancy	11.2	10.7	11.2

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