6Z3X

Crystal structure of the designed antibody DesAb-anti-HSA-P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	40.718, 52.411, 99.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.340 - 1.740
R-factor	0.1939
Rwork	0.193
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b9v
RMSD bond length	0.009
RMSD bond angle	1.049
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.340	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.108	0.776
Number of reflections	45160	2432
<I/σ(I)>	8.7
Completeness [%]	100.0
Redundancy	4.7
CC(1/2)	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium cacodylate ph 6.5, 27% PEG 2000 MME