6RP8

Crystal Structure of Ipilimumab Fab complexed with CTLA-4 at 2.6A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	56.910, 129.890, 76.910
Unit cell angles	90.00, 96.44, 90.00

Refinement procedure

Resolution	48.112 - 2.600
R-factor	0.2138
Rwork	0.211
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.690
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.420	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.172	0.871
Number of reflections	34019	4158
<I/σ(I)>	6.4	1.5
Completeness [%]	99.3	99.7
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG4000, pH6