9DKS

Crystal structure of CcbD C19S mutant complexed with single 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	2022-04-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11588
Spacegroup name	P 21 21 21
Unit cell lengths	75.280, 89.079, 135.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.467 - 1.550
Rwork	0.177
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.674
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.030	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.076	1.973
Rmeas	0.083	2.141
Rpim	0.032	0.826
Number of reflections	132094	6507
<I/σ(I)>	18.7	1.5
Completeness [%]	100.0	100
Redundancy	13	12.9
CC(1/2)	1.000	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.2 M sodium malonate, 20% w/v PEG3350