6O8D

Anti-CD28xCD3 CODV Fab bound to CD28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	153.140, 60.139, 152.558
Unit cell angles	90.00, 104.04, 90.00

Refinement procedure

Resolution	73.972 - 3.547
R-factor	0.2807
Rwork	0.272
R-free	0.35610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CODV-Fab: 6O89 CD28: 1YJD
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.050	74.050	3.640
High resolution limit [Å]	3.550	15.880	3.550
Rmerge	0.192	0.109	0.717
Rmeas	0.235	0.144	0.858
Rpim	0.133	0.093	0.465
Total number of observations	53137	535	3987
Number of reflections	16611	211	1192
<I/σ(I)>	4	9.8	1.5
Completeness [%]	99.8	99.2	99.7
Redundancy	3.2	2.5	3.3
CC(1/2)	0.635	0.937	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	26% PEG3350, 0.75% myo-inositol, 0.263M potassium citrate tribasic monohydrate