6BOC

Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation

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	2016-12-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1158
Spacegroup name	P 1 2 1
Unit cell lengths	34.050, 34.020, 72.090
Unit cell angles	90.00, 90.23, 90.00

Refinement procedure

Resolution	34.050 - 2.250
R-factor	0.2625
Rwork	0.260
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qkm
RMSD bond length	0.028
RMSD bond angle	1.295
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]	36.040	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.203	0.463
Rpim	0.144	0.344
Number of reflections	7894	695
<I/σ(I)>	4.2	2.1
Completeness [%]	98.3	96.3
Redundancy	3.2	3.3
CC(1/2)	0.957	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	3.5	293	0.18 M LiSO4, 4% v/v 1,3-Butanediol, 0.09 M sodium citrate pH 3.5, 25.2% v/v PEG 400, rimantadine, monoolein