6PWK

Vibrio cholerae LapD S helix-GGDEF-EAL (bound to c-di-GMP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-18
Detector	ADSC QUANTUM 210
Wavelength(s)	0.977
Spacegroup name	P 1 21 1
Unit cell lengths	77.379, 90.221, 82.750
Unit cell angles	90.00, 115.49, 90.00

Refinement procedure

Resolution	33.770 - 2.610
R-factor	0.2005
Rwork	0.197
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pjx
RMSD bond length	0.002
RMSD bond angle	0.662
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.730
High resolution limit [Å]	2.600	5.690	2.640
Rmerge	0.062	0.039	0.660
Number of reflections	31030	3178	3102
<I/σ(I)>	12.9
Completeness [%]	99.9	99.7	100
Redundancy	3.8	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2 M sodium formate, 0.1M bicine, pH 8.5; 20% w/v PEG MME 5000, and 0.5-1 mM c-di-GMP, 20% xylitol