6MPW

De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-1

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	C 2 2 21
Unit cell lengths	55.580, 88.802, 48.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.113 - 2.500
R-factor	0.213
Rwork	0.212
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	one bundle of 6MCT
RMSD bond length	0.002
RMSD bond angle	0.387
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.630
High resolution limit [Å]	2.480	2.480
Rmerge	0.067	0.580
Rmeas	0.070	0.610
Number of reflections	4438	672
<I/σ(I)>	19.71	4.84
Completeness [%]	99.0	94.1
Redundancy	12.3	11.9
CC(1/2)	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	298	0.05 M MgCl2, 0.1 %w/v NaN3, 0.1 M Na Cacodylate, pH 6.7, 6.6 %w/v PEG 3350