3WUD

X-ray crystal structure of Xenopus laevis galectin-Ib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-11-27
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	67.210, 35.320, 58.510
Unit cell angles	90.00, 111.82, 90.00

Refinement procedure

Resolution	18.920 - 1.680
R-factor	0.2
Rwork	0.197
R-free	0.25329
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wuc
RMSD bond length	0.019
RMSD bond angle	2.152
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.920	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.046	0.344
Number of reflections	13973
<I/σ(I)>	14.3	2.9
Completeness [%]	94.8	91.4
Redundancy	4.04	4.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	34% PEG 3350, 0.1M MES, 0.2M ammonium sulfate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K