6TCT

MakD from the mak operon of Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	42.327, 70.886, 185.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.840 - 2.020
R-factor	0.189
Rwork	0.187
R-free	0.23590
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.630	46.630	2.090
High resolution limit [Å]	2.020	7.820	2.020
Rmerge	0.138	0.070	1.814
Rmeas	0.143	0.074	1.884
Rpim	0.039	0.021	0.504
Total number of observations	495423	8575	50096
Number of reflections	37693	765	3605
<I/σ(I)>	11.1	24.8	1.6
Completeness [%]	100.0	99.3	100
Redundancy	13.1	11.2	13.9
CC(1/2)	0.998	0.998	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M Tris pH 8.0 60% polypropylene glycol