3EZU

Crystal structure of multidomain protein of unknown function with GGDEF-domain (NP_951600.1) from GEOBACTER SULFURREDUCENS at 1.95 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645,0.97967,0.97953
Spacegroup name	P 21 21 2
Unit cell lengths	74.550, 76.367, 64.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.696 - 1.950
R-factor	0.187
Rwork	0.184
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.352
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.696	29.696	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.081	0.062	0.664
Total number of observations		1063	7244
Number of reflections	27108
<I/σ(I)>	11.6	29	1.8
Completeness [%]	99.4	92.3	100
Redundancy	3.7	3.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.2	277	0.2000M K2HPO4, 20.0000% PEG-3350, No Buffer pH 9.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K