6IDS

Crystal structure of Vibrio cholerae MATE transporter VcmN D35N mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	62.468, 90.149, 102.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.623 - 2.790
R-factor	0.2134
Rwork	0.209
R-free	0.25440
RMSD bond length	0.003
RMSD bond angle	0.780
Data reduction software	DIALS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	102.260	102.260	2.940
High resolution limit [Å]	2.790	8.820	2.790
Rmerge	0.279	0.111	0.924
Rmeas	0.306	0.125	1.017
Rpim	0.123	0.054	0.417
Total number of observations	91363	2876	12424
Number of reflections	14931	555	2069
<I/σ(I)>	5	7.6	2.5
Completeness [%]	99.4	99.9	96.1
Redundancy	6.1	5.2	6
CC(1/2)	0.972	0.977	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	PEG300, sodium citrate, ammonium fluoride