4KIE

Crystal structure of the EAL domain of c-di-GMP specific phosphodiesterase YahA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	73.626, 87.818, 94.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.1665
Rwork	0.165
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r6o
RMSD bond length	0.011
RMSD bond angle	1.445
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.3.20)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.360	47.360	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.055	0.030	0.440
Total number of observations		6088	30108
Number of reflections	34026
<I/σ(I)>	15.722	20.63	1.66
Completeness [%]	99.8	94.3	100
Redundancy	6.14	5.51	6.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M Na-Acetate pH 4.6 and 40% PEG200, VAPOR DIFFUSION, SITTING DROP, temperature 293K