6MCT

A designed pentameric membrane protein stabilized by van der Waals interaction

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	2018-08-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 21 2
Unit cell lengths	52.894, 165.630, 41.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.387 - 1.900
R-factor	0.1805
Rwork	0.179
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	designed
RMSD bond length	0.016
RMSD bond angle	1.229
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	2.010
High resolution limit [Å]	1.890	1.890
Rmerge	0.108	1.384
Rmeas	0.113	1.440
Number of reflections	29360	2896
<I/σ(I)>	14.49	1.75
Completeness [%]	99.6	99.8
Redundancy	12.6	12.3
CC(1/2)	1.000	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	5 mg/ml protein in 45 mM C8E4 mixed (1:1) with 2.5M ammonium sulfate, 50 mM Hepes pH 7.5.