7DV4

Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	75.591, 110.336, 134.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.330 - 2.380
R-factor	0.223
Rwork	0.221
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3osk 5aze
RMSD bond length	0.009
RMSD bond angle	1.226
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.730	2.460
High resolution limit [Å]	2.380	2.380
Rmerge	0.037	0.867
Rmeas	0.041	0.953
Rpim	0.016	0.391
Total number of observations	293482
Number of reflections	45646	4411
<I/σ(I)>	23.5
Completeness [%]	99.8	100
Redundancy	6.4	5.7
CC(1/2)	0.999	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM sodium citrate, 10% (w/v) PEG 6000, pH 5.0