6YBU

Crystal structure of a native BcsE (349-523) RQ complex with c-di-GMP and ATP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.980057954788
Spacegroup name	P 1 21 1
Unit cell lengths	107.990, 72.570, 161.250
Unit cell angles	90.00, 98.37, 90.00

Refinement procedure

Resolution	47.710 - 2.490
R-factor	0.1831
Rwork	0.181
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yar 6tj0
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17rc2_3619)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.490	2.490
Number of reflections	86110	12814
<I/σ(I)>	11.45	1.26
Completeness [%]	98.5	91.4
Redundancy	6.9	6.77
CC(1/2)	0.995	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.4	100 mM Tris-HCl pH 9.0, 22-25% PEG 6000, 500 mM LiCl