2ZW2

Crystal Structure of Formylglycinamide Ribonucleotide Amidotransferase III from SULFOLOBUS TOKODAII (STPURS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-30
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	35.821, 68.390, 68.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.740 - 1.550
R-factor	0.212
Rwork	0.212
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vq3
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.030	0.329
Number of reflections	24008
<I/σ(I)>	17.4	3.3
Completeness [%]	97.3	79.7
Redundancy	6.9	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES sodium pH7.5, 0.8M potassium sodium tartrate tetrahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K