6SCR

Structure of CcmK4 from Synechocystis sp. PCC6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-28
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 63
Unit cell lengths	70.681, 70.681, 64.787
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.200 - 1.800
R-factor	0.1721
Rwork	0.171
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a18
Data reduction software	TRUNCATE
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.210	61.210	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.095	0.037	1.282
Rmeas	0.100	0.039	1.348
Rpim	0.031	0.017	0.573
Number of reflections	17065	149	994
<I/σ(I)>	14.1	43.4	1.9
Completeness [%]	99.6	98.2	99.7
Redundancy	10.5	8.9	10.5
CC(1/2)	0.999	0.999	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	285	22 % (w/v) PEG 4000 0.2 M ammonium sulfate 0.1 M sodium acetate at pH 4.6