6H2X

MukB coiled-coil elbow from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	81.122, 35.036, 81.713
Unit cell angles	90.00, 93.60, 90.00

Refinement procedure

Resolution	40.481 - 2.600
R-factor	0.2458
Rwork	0.243
R-free	0.29680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Initial model from SAD experiment
RMSD bond length	0.002
RMSD bond angle	0.425
Data reduction software	XDS ((Jun1-2017))
Data scaling software	Aimless ((0.5.32))
Phasing software	PHASER ((2.8.0))
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.780	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.096	0.951
Rmeas		1.029
Rpim	0.041	0.390
Number of reflections	27424	1771
<I/σ(I)>	9.7	2
Completeness [%]	99.9	100
Redundancy	6.5	6.9
CC(1/2)	0.998	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292.15	10 mM MES, 150 mM NaCl, 1 mM EDTA, 1 mM TCEP, 1 mM NaN3, 22% PEG3350, 0.25 M NaSCN