8VQN

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

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	2023-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	I 21 3
Unit cell lengths	159.654, 159.654, 159.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.670 - 2.210
R-factor	0.2033
Rwork	0.202
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.489
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]	42.700	2.290
High resolution limit [Å]	2.200	2.200
Rmeas	0.270	1.800
Rpim	0.070	0.650
Number of reflections	33890	33755
<I/σ(I)>	16.4
Completeness [%]	100.0
Redundancy	18.6
CC(1/2)	0.960	0.760

Crystallization Conditions

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