1JVN

CRYSTAL STRUCTURE OF IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE: A TUNNEL THROUGH A (BETA/ALPHA)8 BARREL JOINS TWO ACTIVE SITES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-05
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	98.370, 112.173, 116.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.210 - 2.100
R-factor	0.224
Rwork	0.224
R-free	0.24200
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.067	0.390
Number of reflections	73741
<I/σ(I)>	7.3	2
Completeness [%]	100.0	99.9
Redundancy	14.3	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	20 *	28 % PEG MME 5000, 0.2 M Ammonium sulfate, 0.1 M MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	20 *	28 % PEG MME 5000, 0.2 M Ammonium sulfate, 0.1 M MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG5000 MME	22-28 (%)
2	1	reservoir	MES	0.1 (M)	pH6.5-7.0
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	drop	protein	10 (mg/ml)