9MTV

Crystal structure of an apo-ADC-1 triple mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95369
Spacegroup name	P 1 21 1
Unit cell lengths	43.089, 182.210, 50.767
Unit cell angles	90.00, 99.41, 90.00

Refinement procedure

Resolution	38.640 - 1.800
R-factor	0.1885
Rwork	0.187
R-free	0.21490
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.640	1.840
High resolution limit [Å]	1.800	1.800
Rmeas	0.120
Rpim	0.045	0.516
Number of reflections	70428	3910
<I/σ(I)>	9.2	1.3
Completeness [%]	98.7
Redundancy	6.9
CC(1/2)	0.997	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M lithium chloride, 20% PEG 3350