8GDO

Crystal structure of DH1010 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2022-11-03
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	62.290, 80.400, 135.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 1.950
R-factor	0.2056
Rwork	0.203
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	72CL
RMSD bond length	0.008
RMSD bond angle	1.004
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.130	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.124	1.467
Number of reflections	50413	52001
<I/σ(I)>	16.2
Completeness [%]	100.0	100
Redundancy	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.005 M Cobalt(II) chloride hexahydrate, 0.005 M Nickel(II) chloride hexahydrate, 0.005 M Cadmium chloride hydrate, 0.005 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 12% w/v PEG 3,350