7TUS

Sculpting a uniquely reactive cysteine residue for site-specific antibody conjugation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12723
Spacegroup name	P 1 21 1
Unit cell lengths	117.469, 73.570, 127.580
Unit cell angles	90.00, 110.06, 90.00

Refinement procedure

Resolution	39.950 - 2.400
R-factor	0.2201
Rwork	0.218
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u85
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.950	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.076	1.900
Number of reflections	147073	4513
<I/σ(I)>	9.5
Completeness [%]	98.0
Redundancy	3.4
CC(1/2)	0.995	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	PEG 3350, Ammonium sulfate, Bis-Tris