6YBB

Crystal structure of a native BcsE (217-523) - BcsR-BcsQ (R156E mutant) 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 21 21 21
Unit cell lengths	61.430, 169.590, 177.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 2.900
R-factor	0.2011
Rwork	0.200
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6TJ0; 6YAR
RMSD bond length	0.003
RMSD bond angle	0.528
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	3.070
High resolution limit [Å]	2.890	2.890
Number of reflections	42251	6581
<I/σ(I)>	13.86	0.83
Completeness [%]	99.4	97.5
Redundancy	13.5	13.31
CC(1/2)	0.999	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.4	100 mM MES pH 6.0 and 11% PEG 20 000