6IS1

Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain in complex with BeF3 and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	61.112, 61.742, 66.063
Unit cell angles	90.36, 105.45, 92.01

Refinement procedure

Resolution	31.770 - 1.590
R-factor	0.1592
Rwork	0.159
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nnn
RMSD bond length	0.010
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.770	1.650
High resolution limit [Å]	1.590	1.590
Number of reflections	117259
<I/σ(I)>	15.36
Completeness [%]	93.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Sodium fomate, 20% w/v Polyethylene glycol 3,350