7V2V

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)	0.9724
Spacegroup name	P 31
Unit cell lengths	119.921, 119.921, 81.601
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.319 - 3.194
R-factor	0.2395
Rwork	0.234
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ny5
RMSD bond length	0.004
RMSD bond angle	0.879
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]	48.400	3.310
High resolution limit [Å]	3.190	3.190
Rmerge	0.105	1.123
Rmeas	0.121	1.330
Rpim	0.059	0.697
Number of reflections	21513	2212
<I/σ(I)>	6.8	0.6
Completeness [%]	98.2	99.3
Redundancy	3.3	3.3
CC(1/2)	0.990	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	AMS bicine pH 8.8 300 NaCl