5UF4

Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 with LNnT bound

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 43 2 2
Unit cell lengths	82.423, 82.423, 227.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.809 - 2.040
R-factor	0.1959
Rwork	0.195
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uei
RMSD bond length	0.004
RMSD bond angle	0.756
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.810	46.810	2.080
High resolution limit [Å]	2.040	5.530	2.040
Rmerge	0.220	0.101	0.618
Number of reflections	46172
<I/σ(I)>	6.4
Completeness [%]	90.4	100	44.4
Redundancy	7.2	8.9	2
CC(1/2)		0.996	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	7.5 mg/mL O13 protein, 1.25 mM LnNT, 20% Peg4000, 0.2 M ammonium sufate, 0.1 M sodium acetate, pH 5.0