5UFC

Crystal Structure of Variable Lymphocyte Receptor (VLR) Tn4-22 with H-trisaccharide bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 31 2 1
Unit cell lengths	98.916, 98.916, 162.875
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.458 - 1.888
R-factor	0.1994
Rwork	0.198
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ufb
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.458	1.960
High resolution limit [Å]	1.888	1.888
Rpim	0.030	0.350
Number of reflections	74657
<I/σ(I)>	14.8
Completeness [%]	98.0
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	11 mg/mL Tn4-22, 1 mM H-trisaccharide, 85 mM sodium acetate, pH 4.6, 170 mM ammonium acetate, 15% glycerol, 25.5% PEG4000