5W6G

Human antibody 6649 in complex with influenza hemagglutinin H1 Solomon Islands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	293.15
Detector technology	CCD
Collection date	2016-05-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999976
Spacegroup name	P 21 3
Unit cell lengths	177.310, 177.310, 177.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.180 - 2.790
R-factor	0.22
Rwork	0.218
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 5UGY & 3H42
RMSD bond length	0.010
RMSD bond angle	1.240
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.180	49.180	2.960
High resolution limit [Å]	2.790	8.280	2.790
Rmerge	0.229	0.037	3.868
Rmeas	0.237	0.038	4.047
Total number of observations	659405
Number of reflections	46038	1886	7167
<I/σ(I)>	12.04	53.8	0.72
Completeness [%]	99.3	99.4	96.1
Redundancy	14.323	13.649	11.408
CC(1/2)	0.997	0.999	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293.15	1.9 M ammonium sulfate, 0.1 M of HEPES, pH 7