5UF1

Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 in complex with H-trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	P 21 21 2
Unit cell lengths	87.124, 78.968, 83.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.902 - 2.030
R-factor	0.1883
Rwork	0.187
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uei
RMSD bond length	0.002
RMSD bond angle	0.619
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.902	47.900	2.100
High resolution limit [Å]	2.030	4.370	2.030
Rmerge	0.119	0.066	0.613
Number of reflections	32373
<I/σ(I)>	8.2
Completeness [%]	85.5	100	39.8
Redundancy	5.9	7	2.4
CC(1/2)		0.997	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	277	10 mg/mL O13, 14% PEG6000, 1 M lithium chloride, 0.1 M citrate, pH 5.2, 1.9 mM H-trisaccharide