2Z02

Crystal structure of phosphoribosylaminoimidazolesuccinocarboxamide synthase wit ATP from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-09
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	82.099, 82.099, 85.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.330 - 2.030
R-factor	0.207
Rwork	0.207
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yzl
RMSD bond length	0.008
RMSD bond angle	2.100
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	2.100
High resolution limit [Å]	2.030	2.030
Rmerge	0.072	0.336
Number of reflections	37829
Completeness [%]	100.0	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2M Potassium Sodium Tartrate tetrahydrate, 0.1M tri-Sodium Citrate pH 5.6, 2.0M Ammonium Sulfate, 0.01M Adenosine-5'-triphosphate, 0.01M Magnesium Chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K