6US9

Influenza A M2 proton channel wild type TM domain bound to R-rimantadine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1159
Spacegroup name	P 1 21 1
Unit cell lengths	48.181, 48.701, 71.671
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	48.180 - 2.000
R-factor	0.2356
Rwork	0.232
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bkl
RMSD bond length	0.055
RMSD bond angle	2.222
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.700	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.122	0.494
Rpim	0.056	0.247
Number of reflections	21661	1558
<I/σ(I)>	6.8	2.6
Completeness [%]	96.0
Redundancy	5.4
CC(1/2)	0.997	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.5	293	monoolein, 0.015 M Tricine pH 8.5, 24% w/v PEG 4000, 50 mM MNG-3-C8, R-rimantadine