6JC2

Crystal structure of the Fab fragment of ipilimumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	119.614, 119.614, 82.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.785 - 2.650
R-factor	0.2051
Rwork	0.202
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.800	2.700
High resolution limit [Å]	2.650	2.650
Number of reflections	17797
<I/σ(I)>	24.5
Completeness [%]	99.3
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 10000, 0.2M ammonium sulfate, 0.1M Acetate pH5.0