3NV2

Crystal structure of human galectin-9 C-terminal CRD in complex with N-acetyllactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-28
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	70.805, 70.805, 50.209
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.850 - 2.340
R-factor	0.179
Rwork	0.179
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3KOE
RMSD bond length	0.005
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.340	2.340
Rmerge	0.075	0.385
Total number of observations	68565
Number of reflections	6135
<I/σ(I)>	8.7	7.4
Completeness [%]	100.0	100
Redundancy	11.2	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20% PEG MME 2000, 0.1M Tris pH 8.5, 0.01M nickel chloride hexahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K