9I42

Structure of anti-EV71 human monoclonal antibody 16-2-2D 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	2017-10-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	63.290, 104.010, 86.090
Unit cell angles	90.00, 103.99, 90.00

Refinement procedure

Resolution	44.150 - 1.920
R-factor	0.1654
Rwork	0.164
R-free	0.19180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.986
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.150	1.940
High resolution limit [Å]	1.920	1.920
Number of reflections	82492	4093
<I/σ(I)>	20.4
Completeness [%]	100.0
Redundancy	43.2
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	30% (v/v) pentaerythritol ethoxylate (15/4 EO/OH), 0.05 M ammonium sulphate, 0.1 M bis-Tris, pH 6.5