6HUW

Crystal structure of CdaA from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	62.886, 62.886, 187.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.616 - 2.800
R-factor	0.2565
Rwork	0.255
R-free	0.29660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rv7
RMSD bond length	0.008
RMSD bond angle	1.192
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.660	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.186	1.825
Number of reflections	9974	1396
<I/σ(I)>	18.2	5.9
Completeness [%]	100.0	100
Redundancy	23.2	24.1
CC(1/2)	0.994	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium Cacodylate pH 6.5, 0.1M Ammonium Sulfate, 0.3M Sodium Formate, 6% PEG8000, 3% PGA