6APC

Crystal Structure of Infant Antibody ADI-19425

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2015-12-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	61.230, 66.530, 125.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.070 - 1.700
R-factor	0.1757
Rwork	0.174
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eyq 3h42
RMSD bond length	0.003
RMSD bond angle	0.667
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.070	26.070	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.069	0.079	0.328
Rmeas	0.075	0.088	0.363
Rpim	0.028	0.038	0.153
Number of reflections	57347	440	2940
<I/σ(I)>	16.8
Completeness [%]	99.9	95.6	99.4
Redundancy	6.8	4.9	5.5
CC(1/2)	0.998	0.990	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	50 nL of ADI-19425 Fab at 8.78 mg/ml, 50 nL of crystal seed solution, and 100 nL of reservoir solution containing 1.5 M Ammonium sulfate, 0.1 M sodium chloride, and 0.1 M BisTris pH 6.5