6GYG

X-ray structure of the apo form of the establishement gene regulator Reg576 of the G+ plasmid p576

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	P 43 21 2
Unit cell lengths	44.278, 44.278, 141.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.250 - 1.980
R-factor	0.20981
Rwork	0.207
R-free	0.25596
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	fragments
RMSD bond length	0.015
RMSD bond angle	1.741
Data reduction software	XDS
Data scaling software	autoPROC (snapshot_20170508)
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.250	2.013
High resolution limit [Å]	1.979	1.979
Rmerge	0.106	1.959
Number of reflections	8828	55
<I/σ(I)>	12.5	1.4
Completeness [%]	92.6	41.9
Redundancy	11.6	12.3
CC(1/2)	0.999	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	Protein was concentrated to 25 mg/mL in [20 mM Tris (pH8.0), 250 mM NaCl]. Crystals of Reg576 were obtained in 130 mM potassium bromide, 25% PEG 2000 monomethylether by the sitting-drop vapor-diffusion method at 18 deg. C, in drops of 1 uL + 1 uL (protein:reservoir). Needle-shaped crystals appeared in less t han a week. Cryo-cooling in liquid nitrogen was carried out using a cryo-protecting solution containing reservoir solution supplemented with 5% glycerol