5L2A

Structure of CNTnw N149S,F366A in an outward-facing state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 61
Unit cell lengths	119.079, 119.079, 276.962
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.978 - 3.450
R-factor	0.2746
Rwork	0.272
R-free	0.30670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l26
RMSD bond length	0.004
RMSD bond angle	0.871
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.660
High resolution limit [Å]	3.450	3.450
Rmeas		0.600
Rpim	0.090
Number of reflections	53483
<I/σ(I)>	5.6	0.5
Completeness [%]	99.6	99.5
Redundancy	5.8	5.3
CC(1/2)	0.980	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	50 mM Mg(OAc)2, 30% PEG400