8HIT

Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 31 2 1
Unit cell lengths	78.320, 78.320, 123.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.580 - 3.200
R-factor	0.2537
Rwork	0.251
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.771
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.203
Number of reflections	7627	7627
<I/σ(I)>	15.4	2.25
Completeness [%]	99.9	100
Redundancy	15	15.4
CC(1/2)		0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100mM Tris, pH 8.5, 30% w/v PEG 4000