3AX6

Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from Thermotoga maritima

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-03
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97905,0.90000,0.97945
Spacegroup name	P 1 21 1
Unit cell lengths	63.919, 186.590, 68.463
Unit cell angles	90.00, 90.49, 90.00

Refinement procedure

Resolution	45.140 - 2.200
R-factor	0.216
Rwork	0.216
R-free	0.26800
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.105	0.338
Number of reflections	135114
<I/σ(I)>	7.62	1.35
Completeness [%]	94.9	83.5
Redundancy	3.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	0.1M sodium chloride, 0.1M Bis-tris pH6.6, 25% (w/v) PEG 3350, 10mM adenosine diphosphate, 10mM magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K