9DQ5

Crystal structure of Anti-CTLA-4 Fab (9D9) 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]	300
Detector technology	PIXEL
Collection date	2017-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	128.508, 208.841, 91.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.480 - 3.100
R-factor	0.2417
Rwork	0.238
R-free	0.30120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.182
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	208.840	3.220
High resolution limit [Å]	3.100	3.100
Rmerge	0.054	0.990
Rmeas	0.058	1.118
Rpim	0.023	0.501
Total number of observations	286219	14368
Number of reflections	44164	3442
<I/σ(I)>	18.1	1.1
Completeness [%]	97.2
Redundancy	6.5	4.2
CC(1/2)	0.999	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	15% PEG10000, 0.1 M Bis-Tris, pH 6.5, 0.1 M ammonium acetate