1FB1

CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	115.110, 115.110, 387.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.970 - 3.100
R-factor	0.204
Rwork	0.204
R-free	0.29300
RMSD bond length	0.011
RMSD bond angle	23.800 *
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]	14.970	3.290
High resolution limit [Å]	3.100	3.100
Rmerge	0.165
Total number of observations	276838 *
Number of reflections	25288
Completeness [%]	84.5	41.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	20 *	ammonium sulphate, isopropanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.6 (mg/ml)
2	1	drop	potassium phosphate	100 (mM)
3	1	drop	1,4-dithiothreitol	2 (mM)
4	1	drop		0.02 (%)
5	1	reservoir	ammonium sulfate	1.0 (M)
6	1	reservoir	isopropanol	3.2 (%)
7	1	reservoir	dithiothreitol	2 (mM)