7PS3

Crystal structure of antibody Beta-32 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	60.583, 66.848, 135.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.500 - 1.700
R-factor	0.1688
Rwork	0.168
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7beh
RMSD bond length	0.006
RMSD bond angle	0.831
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.181
Rpim	0.027
Number of reflections	61012	2917
<I/σ(I)>	13.4	0.5
Completeness [%]	99.9	96.4
Redundancy	43.4	17.7
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.1 M DL-Malic acid pH 7.0