8GAB

Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	175.749, 33.604, 74.474
Unit cell angles	90.00, 101.15, 90.00

Refinement procedure

Resolution	24.950 - 2.720
R-factor	0.2496
Rwork	0.247
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.327
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.820
High resolution limit [Å]	2.720	2.720
Rmerge	0.087	0.890
Number of reflections	11876	1237
<I/σ(I)>	10.35	2.08
Completeness [%]	99.8
Redundancy	3.7
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	22% (w/v) PEG 3350 and 0.2 M KCl