2IEX

Crystal structure of dihydroxynapthoic acid synthetase (GK2873) from Geobacillus kaustophilus HTA426

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-07-07
Detector	RIGAKU
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	77.013, 130.658, 131.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.960 - 2.200
R-factor	0.18
Rwork	0.180
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q51
RMSD bond length	0.184
RMSD bond angle	2.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.043	0.080
Number of reflections	33813
Completeness [%]	98.9	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30% pentaerythritol ethocylate, 0.05M ammonium sulfate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K