9DKR

Crystal structure of CcbD complexed with PCP domain of CcbZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11595
Spacegroup name	P 21 21 21
Unit cell lengths	86.140, 98.956, 123.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.297 - 1.660
Rwork	0.184
R-free	0.21410
Structure solution method	SIRAS
RMSD bond length	0.011
RMSD bond angle	1.654
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.310	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.073	1.676
Rmeas	0.079	1.812
Rpim	0.030	0.683
Number of reflections	124814	6099
<I/σ(I)>	20.2	1.5
Completeness [%]	100.0	100
Redundancy	13.3	13.5
CC(1/2)	1.000	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.2 M sodium acetate trihydrate, 20% w/v PEG 3350