2YZL

Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase with ADP from Methanocaldococcus jannaschii

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	2006-10-18
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	82.310, 82.310, 85.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.160 - 2.200
R-factor	0.228
Rwork	0.228
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kut
RMSD bond length	0.007
RMSD bond angle	1.800
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.081	0.312
Number of reflections	55697
Completeness [%]	97.6	82.3
Redundancy	3.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.5M Ammmounium Sulfate, 0.1M Tris pH 8.5, 0.01M ADP, 0.01M Magnesium Chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K