3ICL

X-Ray Structure of Protein (EAL/GGDEF domain protein) from M.capsulatus, Northeast Structural Genomics Consortium Target McR174C

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-09
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	40.672, 75.950, 95.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.000
R-factor	0.216
Rwork	0.208
R-free	0.22200
Structure solution method	SINGLE WAVELENGTH
RMSD bond length	0.010
RMSD bond angle	1.314
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.4_115)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.305
Number of reflections	20466
<I/σ(I)>	26.6	4.68
Completeness [%]	99.2	95.4
Redundancy	6.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		3.5	293	0.1M Citric Acid, 2M Ammonium Sulfate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K