6PZE

Crystal structure of human NA-45 Fab in complex with neuraminidase Y169aH mutant from A/Shanghai/2/2013 (H7N9)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 4 21 2
Unit cell lengths	161.268, 161.268, 87.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.786 - 2.300
R-factor	0.158
Rwork	0.156
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l14 5t93 5bv7
RMSD bond length	0.007
RMSD bond angle	0.944
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.350
High resolution limit [Å]	2.300	2.300
Rpim	0.050	0.260
Number of reflections	51133	3164
<I/σ(I)>	11.7	2.1
Completeness [%]	98.3	99.2
Redundancy	6.6
CC(1/2)	0.997	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Hepes, pH 7.0 and 10% (w/v) polyethylene glycol 6000