9I4B

Structure of anti-EV71 human monoclonal antibody 17-2-12A 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	2017-04-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1
Unit cell lengths	40.833, 72.626, 87.781
Unit cell angles	104.38, 93.15, 96.56

Refinement procedure

Resolution	48.120 - 2.680
R-factor	0.2099
Rwork	0.208
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.601
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	2.780
High resolution limit [Å]	2.680	2.680
Number of reflections	27165	1277
<I/σ(I)>	4.2
Completeness [%]	99.5
Redundancy	5.1
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20% (w/v) PEG 3350, 0.2 M di-ammonium hydrogen citrate or 25% (w/v) PEG 3350, 0.1 M citrate, pH 3.5