6U85

Site-specific lysine arylation as an alternative bioconjugation strategy for chemically programmed antibodies and antibody-drug conjugates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	P 65
Unit cell lengths	92.762, 92.762, 107.812
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.760 - 2.780
R-factor	0.2134
Rwork	0.211
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dzr
RMSD bond length	0.003
RMSD bond angle	0.531
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.760	2.880
High resolution limit [Å]	2.780	2.780
Rmerge	0.193	2.263
Number of reflections	12768	256
<I/σ(I)>	8.99
Completeness [%]	85.1
Redundancy	5.8
CC(1/2)	0.994	0.252

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Ammonium citrate dibasic, 20% w/v Polyethylene glycol 3,350