9DQ3

Crystal structure of engineered Ipilimumab (mipi.4) Fab in complex with human 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	84.023, 148.359, 48.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.960 - 1.640
R-factor	0.2336
Rwork	0.232
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.931
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]	74.180	1.765
High resolution limit [Å]	1.636	1.636
Rmerge	0.210	0.637
Rmeas	0.230	0.710
Rpim	0.093	0.308
Total number of observations	357216	14724
Number of reflections	59236	2964
<I/σ(I)>	5.1	1.6
Completeness [%]	78.3
Redundancy	6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.18 M calcium acetate hydrate, 22.5% w/v PEG3350