2YWV

Crystal structure of SAICAR synthetase from Geobacillus kaustophilus

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	CCD
Collection date	2006-12-05
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	49.890, 56.397, 56.410
Unit cell angles	76.39, 64.36, 64.35

Refinement procedure

Resolution	37.000 - 1.750
R-factor	0.188
Rwork	0.188
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gqs
RMSD bond length	0.007
RMSD bond angle	2.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.038	0.118
Number of reflections	92845
Completeness [%]	93.9	94.3
Redundancy	1.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2M Ammonium Sulfate, 0.1M Sodium Acetate trihydrate(pH4.6), 30%w/v PEG MME 2000 , VAPOR DIFFUSION, SITTING DROP, temperature 293K