2BE9

Crystal structure of the CTP-liganded (T-State) aspartate transcarbamoylase from the extremely thermophilic archaeon Sulfolobus acidocaldarius

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-02
Detector	MARRESEARCH
Wavelength(s)	0.8034
Spacegroup name	P 63 2 2
Unit cell lengths	131.932, 131.932, 139.132
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.22501
Rwork	0.223
R-free	0.27133
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1PG5
RMSD bond length	0.011
RMSD bond angle	1.440
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	24875
Completeness [%]	98.2	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	AMMONIUM SULFATE, SODIUM ACETATE CTP soak, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 298K