2REF

Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with malonyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2006-06-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97939
Spacegroup name	P 31 2 1
Unit cell lengths	91.886, 91.886, 139.486
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.500 - 2.750
R-factor	0.21
Rwork	0.207
R-free	0.25100
Starting model (for MR)	Apo CurA GNATL domain
RMSD bond length	0.008
RMSD bond angle	1.351
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.094	0.534
Number of reflections	18214
<I/σ(I)>	10.6	4.9
Completeness [%]	99.9	99.9
Redundancy	9.7	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	Mother liquor: 100 mM Bis-Tris pH 6.8, 100 mM NaCl, 1.5 M ammonium sulfate, 20% glycerol. Protein buffer: 20 mM Tris pH 7.9, 500 mM NaCl, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K