6LXI

Crystal structure of Z2B3 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-11
Detector	Nonius Kappa CCD
Wavelength(s)	0.9793
Spacegroup name	P 4 21 2
Unit cell lengths	163.130, 163.130, 190.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.930 - 2.500
R-factor	0.1848
Rwork	0.183
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3beq 5w0d
RMSD bond length	0.012
RMSD bond angle	1.015
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.499	2.500
Rmerge		0.940
Number of reflections	88386	83916
<I/σ(I)>	18	0.18
Completeness [%]	100.0
Redundancy	11.1
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	4% Tacsimate pH 7.0, 20% PEG 3350