2Q2X

Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula

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	2006-08-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332,0.97942,0.97956,0.95373
Spacegroup name	P 3 2 1
Unit cell lengths	105.433, 105.433, 46.314
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.310 - 2.000
R-factor	0.204
Rwork	0.202
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.245
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.11)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.063	0.682
Number of reflections	20390
<I/σ(I)>	13.4	3.6
Completeness [%]	99.9	100
Redundancy	11	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.15	277.15	1.5M sodium malonate pH 7.0, 50 mM HEPES pH 6.8, 20 mM Tris pH 7.9, 500 mM NaCl, 10% glycerol, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
1	VAPOR DIFFUSION, HANGING DROP	7.15	277.15	1.5M sodium malonate pH 7.0, 50 mM HEPES pH 6.8, 20 mM Tris pH 7.9, 500 mM NaCl, 10% glycerol, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
1	VAPOR DIFFUSION, HANGING DROP	7.15	277.15	1.5M sodium malonate pH 7.0, 50 mM HEPES pH 6.8, 20 mM Tris pH 7.9, 500 mM NaCl, 10% glycerol, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K