1FBX

CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	227.690, 314.190, 132.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.800
R-factor	0.202
Rwork	0.202
R-free	0.25100
RMSD bond length	0.011
RMSD bond angle	1.600
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.120
Total number of observations	572885 *
Number of reflections	107321 *
Completeness [%]	90.2	44.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	PEG 6000, KCL, MOPS, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	potassium phosphate	10 (mM)
3	1	drop		0.02 (%)
4	1	reservoir	PEG6000	6 (%)
5	1	reservoir		150 (mM)
6	1	reservoir	4-morpholineprpanesulfonic	100 (mM)