9YZZ

Crystal structure of Trastuzumab Fab conjugated to Linker-Payload

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979338
Spacegroup name	C 1 2 1
Unit cell lengths	128.902, 64.941, 83.810
Unit cell angles	90.00, 129.91, 90.00

Refinement procedure

Resolution	64.290 - 2.420
R-factor	0.2437
Rwork	0.241
R-free	0.28870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	XDS (Feb 5, 2021 (BUILT 20210323))
Data scaling software	pointless (1.12.13)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.290	2.580
High resolution limit [Å]	2.420	2.420
Rmerge	0.084	1.925
Rmeas	0.092	2.080
Rpim	0.035	0.780
Number of reflections	14858	14831
<I/σ(I)>	11.5
Completeness [%]	94.4	94.4
Redundancy	6.99	7
CC(1/2)	0.983	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.09 M HEPES, pH 7.5, 0.0045 M cadmium chloride, 0.0045 M cobalt(II) chloride, 0.0045 M magnesium chloride, 0.0045 M nickel(II) chloride, 10.8% PEG3350, 4% 1,3-butanediol