6GDJ

Crystal structure of Mto2 twin-cysteine dimerisation domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	73.704, 73.704, 54.363
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.390 - 1.500
R-factor	0.1538
Rwork	0.152
R-free	0.18317
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	1.804
Data reduction software	XDS (November 3, 2014)
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.390	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.155	0.455
Rmeas	0.173	0.509
Rpim	0.078	0.226
Number of reflections	26976	3891
<I/σ(I)>	6.6	2.6
Completeness [%]	99.9	99.6
Redundancy	5.1	4.9
CC(1/2)	0.970	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	10-22% PEG 3350, 0.2M sodium acetate trihydrate or sodium thiocyanate pH6-7
1	VAPOR DIFFUSION, SITTING DROP		290	10-22% PEG 3350, 0.2M sodium acetate trihydrate or sodium thiocyanate pH6-7