6US8

Influenza A M2 proton channel wild type TM domain bound to S-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	2019-08-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1159
Spacegroup name	P 21 21 21
Unit cell lengths	49.390, 76.090, 98.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.250 - 1.700
R-factor	0.1903
Rwork	0.189
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bkl
RMSD bond length	0.070
RMSD bond angle	2.717
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]	60.250	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.089	0.882
Rpim	0.036	0.349
Number of reflections	37869	1950
<I/σ(I)>	11.3	2.1
Completeness [%]	91.5
Redundancy	6.8
CC(1/2)	0.999	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	293	monoolein, 0.05 M HEPES pH 7.5, 22% w/vPEG 4000, 50 mM MNG-3-C8, S-rimantadine