7V4E

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)	0.974
Spacegroup name	P 31
Unit cell lengths	119.687, 119.687, 81.141
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.162 - 4.000
R-factor	0.2452
Rwork	0.241
R-free	0.27970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ny5
RMSD bond length	0.003
RMSD bond angle	0.953
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]	48.162	4.140
High resolution limit [Å]	4.000	4.000
Rmerge	0.110	0.342
Rmeas	0.127	0.405
Rpim	0.063	0.211
Number of reflections	19802	1095
<I/σ(I)>	9.2
Completeness [%]	95.0	99.2
Redundancy	3.3	3.3
CC(1/2)	0.950	0.860

Crystallization Conditions

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