9DQ4

Crystal structure of engineered Ipilimumab (mipi.4) Fab in complex with mouse CTLA-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	82.314, 152.778, 48.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.020 - 1.570
R-factor	0.2062
Rwork	0.205
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.257
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.163	1.946
High resolution limit [Å]	1.570	1.570
Rmerge	0.126	0.675
Rmeas	0.139	0.797
Rpim	0.057	0.416
Number of reflections	68048	2337
<I/σ(I)>	7.2
Completeness [%]	86.8
Redundancy	5.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.25 M sodium acetate trihydrate, 25% PEG3350