5IDM

Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	56.280, 62.110, 103.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.1953
Rwork	0.194
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.628
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	29.754	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.043	0.300
Number of reflections	29150
<I/σ(I)>	13.8	14.5	2.5
Completeness [%]	99.2	97.1	99.3
Redundancy	6.4	7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1 M ammonium sulfate, 28.4% polyethylene glycol 4000 and 0.1 M MES pH 5.5