8VQQ

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	I 21 3
Unit cell lengths	159.758, 159.758, 159.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 2.050
R-factor	0.2027
Rwork	0.201
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.539
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	2.130
High resolution limit [Å]	2.050	2.050
Rmeas	0.240	2.100
Rpim	0.050	0.740
Number of reflections	37695	37641
<I/σ(I)>	26.9
Completeness [%]	90.0
Redundancy	22.5
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Tris, 1M Lithium Chloride, 20% PEG6000, PH8