6MQ2

De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-2

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	55.550, 81.890, 47.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.147 - 2.500
R-factor	0.2139
Rwork	0.213
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mpw
RMSD bond length	0.003
RMSD bond angle	0.494
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	2.530
High resolution limit [Å]	2.380	2.380
Rmerge	0.157	1.730
Rmeas	0.165	1.870
Number of reflections	4274	727
<I/σ(I)>	9.45
Completeness [%]	92.7	53.5
Redundancy	11.68	3.15
CC(1/2)	0.998	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.2 M (NH4)2SO4, 0.1 M Na Acet pH 4.6, 28 %v/v PEG MME 550