8GAC

Crystal structure of a high affinity CTLA-4 binder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	39.865, 52.037, 53.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 1.850
Rwork	0.191
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
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]	19.850	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.080
Number of reflections	9931	1170
<I/σ(I)>	18.4
Completeness [%]	99.6
Redundancy	10.6
CC(1/2)	0.990	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	30 % (w/v) PEG 3350, 0.22 M MgCl2 and 0.0.8 M Bis-Tris pH 5.5 and 0.15 M HEPES