7V3W

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)	0.987
Spacegroup name	P 31
Unit cell lengths	118.788, 118.788, 79.146
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.505 - 3.205
R-factor	0.2315
Rwork	0.224
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ny5
RMSD bond length	0.003
RMSD bond angle	0.942
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]	47.510	3.430
High resolution limit [Å]	3.200	3.200
Rmerge	0.065	1.373
Rmeas	0.077	1.651
Rpim	0.042	0.894
Number of reflections	20013	1896
<I/σ(I)>	11.9
Completeness [%]	97.6	98.7
Redundancy	2.9
CC(1/2)	0.997	0.363

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.8M AMS, bicine pH 8.8 NaCl, 300mM