6MNI

Structure of the tandem CACHE domain of PscC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2017-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953724086285
Spacegroup name	P 1
Unit cell lengths	34.244, 53.916, 73.312
Unit cell angles	104.79, 91.20, 92.71

Refinement procedure

Resolution	48.272 - 1.696
R-factor	0.1641
Rwork	0.162
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8c
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	BALBES
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.272	48.270	1.730
High resolution limit [Å]	1.696	8.980	1.700
Rmerge	0.075	0.054	0.463
Rmeas	0.089	0.063	0.547
Rpim	0.047	0.033	0.288
Number of reflections	54175	362	2662
<I/σ(I)>	7.2		1.4
Completeness [%]	96.6	97.3	89.2
Redundancy	3.6	3.6	3.4
CC(1/2)	0.995	0.994	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Bis-tris pH 5.5 and 30% PEG3350