6GYX

Crystal structure of DacA from Staphylococcus aureus in complex with ApCpp

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	2016-12-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	44.092, 80.424, 96.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.279 - 2.600
R-factor	0.2328
Rwork	0.231
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gyw
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.700	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.116	2.115
Number of reflections	10930	1291
<I/σ(I)>	10.2	2
Completeness [%]	99.3	99.2
Redundancy	12.2	12.3
CC(1/2)	0.997	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10 mM MgCl2, 50 mM MES pH 5.8, 0.2M KCl, 3% Peg8000