1OZ0

CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH A MULTISUBSTRATE ADDUCT INHIBITOR BETA-DADF.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	95
Detector technology	CCD
Collection date	1998-03-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	54.410, 108.100, 102.360
Unit cell angles	90.00, 91.92, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.217
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g8m
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.055 *	0.424 *
Number of reflections	39623	1825 *
<I/σ(I)>	14	1.8
Completeness [%]	92.5	85.8
Redundancy	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	22 *	13% (w/v) PEG 8000, 0.2M imidazole, pH 7.0 and 5mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	13 (%(w/v))
3	1	reservoir	imidazole	0.2 (M)	pH7.0
4	1	reservoir	dithiothreitol	5 (mM)