2YRX

Crystal structure of GAR 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	2006-11-23
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.792, 83.362, 96.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 1.900
R-factor	0.211
Rwork	0.211
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yrw
RMSD bond length	0.005
RMSD bond angle	1.300
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	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.102	0.655
Number of reflections	32811
Completeness [%]	100.0	99.9
Redundancy	10.3	9.4

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, 30% polyethylene glycol monomethyl ether 2000, 10mM ATP, pH4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K