7V2B

Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97242
Spacegroup name	P 31
Unit cell lengths	118.639, 118.639, 78.255
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.273 - 3.200
R-factor	0.2191
Rwork	0.214
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ny5
RMSD bond length	0.004
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.340	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.087	1.540
Rmeas	0.105	1.851
Rpim	0.057	1.002
Number of reflections	65219	2062
<I/σ(I)>	9.1	0.6
Completeness [%]	99.8	99.4
Redundancy	3.2	3
CC(1/2)	0.812	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	AMS(0.8M) Bicene pH 8.8