6XY2

Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody

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	2020-01-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97892
Spacegroup name	C 2 2 21
Unit cell lengths	163.862, 254.478, 66.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.330 - 3.050
R-factor	0.2508
Rwork	0.249
R-free	0.29250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3osk
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.000	3.110
High resolution limit [Å]	2.950	2.950
Rmerge	0.133	1.865
Rmeas	0.142
Rpim	0.049	0.772
Number of reflections	29874	4226
<I/σ(I)>	7.4	0.7
Completeness [%]	99.9
Redundancy	7.9
CC(1/2)	0.992	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	293	1M Li2SO4, 1.5M NH4SO4, 0.1M Sodium citrate