1M9N

CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH AICAR AND XMP AT 1.93 ANGSTROMS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	56.480, 107.880, 103.860
Unit cell angles	90.00, 91.20, 90.00

Refinement procedure

Resolution	29.200 * - 1.930
R-factor	0.20955
Rwork	0.206
R-free	0.24400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g8m
RMSD bond length	0.009
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.044 *	0.419 *
Number of reflections	91184	4619 *
<I/σ(I)>	25.3	2.4
Completeness [%]	98.2	99.6
Redundancy	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	22 *	PEG 8000, imidazole, DTT, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	14 (%(w/v))
3	1	reservoir	imidazole	0.2 (M)	pH7.2
4	1	reservoir	dithiothreitol	5 (mM)