8VQL

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

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	164.269, 164.269, 164.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.720 - 2.290
R-factor	0.217
Rwork	0.215
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.529
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.720	2.370
High resolution limit [Å]	2.290	2.290
Rmeas	0.260	1.760
Rpim	0.080	0.730
Number of reflections	32886	32817
<I/σ(I)>	13.2
Completeness [%]	99.0
Redundancy	11.6
CC(1/2)	0.915	0.400

Crystallization Conditions

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