6ARQ

Crystal structure of CD96 (D1) bound to CD155/necl-5 (D1-3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-18
Detector	ADSC QUANTUM 315
Wavelength(s)	.9537
Spacegroup name	P 21 21 21
Unit cell lengths	33.138, 70.819, 224.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.550 - 2.880
R-factor	0.231
Rwork	0.230
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fqp
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.870	2.990
High resolution limit [Å]	2.830	2.830
Rmerge	0.145	0.619
Rpim	0.092	0.387
Number of reflections	11730	1620
<I/σ(I)>	6.4	1.8
Completeness [%]	87.7	85.3
Redundancy	3.1	3.2
CC(1/2)	0.984	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	32% (v/v) Jeffamine ED-2001 0.1M HEPES pH7.3