8TXT

Crystal structure of 05.GC.w13.02 Fab in complex with H5 HA from A/Viet Nam/1203/2004(H5N1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97934
Spacegroup name	I 2 2 2
Unit cell lengths	159.461, 232.604, 233.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.120 - 3.190
R-factor	0.2196
Rwork	0.217
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fqi
RMSD bond length	0.002
RMSD bond angle	0.484
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.120	3.300
High resolution limit [Å]	3.190	3.200
Rpim	0.096	0.800
Number of reflections	57122	689
<I/σ(I)>	7.8
Completeness [%]	96.6
Redundancy	5.8
CC(1/2)	0.976	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M lithium sulfate, pH 6.2, 20% PEG3350