6XPY

Human antibody S1V2-58 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-10-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	C 2 2 21
Unit cell lengths	119.070, 158.190, 137.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.214 - 3.603
R-factor	0.2581
Rwork	0.256
R-free	0.30370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w08 6e4x
RMSD bond length	0.003
RMSD bond angle	0.654
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASES
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.214	3.732
High resolution limit [Å]	3.603	3.603
Rmerge	0.110	0.895
Rmeas	0.118	0.960
Rpim	0.043	0.344
Number of reflections	15283	11109
<I/σ(I)>	13.82
Completeness [%]	99.5	98.24
Redundancy	7.4	7.6
CC(1/2)	0.998	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	291.15	30% (v/v) PEG 400, 0.1M CAPS, pH 10.5