4XTM

Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with GalNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.915
Spacegroup name	I 2 2 2
Unit cell lengths	56.354, 86.111, 129.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.150 - 2.700
R-factor	0.207
Rwork	0.205
R-free	0.24400
RMSD bond length	0.012
RMSD bond angle	1.396
Data reduction software	MOSFLM
Data scaling software	Aimless (0.2.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.111	0.394
Number of reflections	7221
<I/σ(I)>	6.4	2.3
Completeness [%]	81.7	84.8
Redundancy	3.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293