6GYW

Crystal structure of DacA from Staphylococcus aureus

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	2016-05-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	54.799, 68.190, 76.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.990 - 1.700
R-factor	0.1749
Rwork	0.173
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rv7
RMSD bond length	0.006
RMSD bond angle	0.962
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.190	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.078	0.627
Number of reflections	32376	1659
<I/σ(I)>	13.9	2
Completeness [%]	99.9	99
Redundancy	12.2	10
CC(1/2)	0.999	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M LiCl, 0.1M Na-Cacodylate pH 6.5, 30% Peg400