1HOX

CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE COMPLEXED WITH FRUCTOSE-6-PHOSPHATE

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]	93
Detector technology	CCD
Collection date	1999-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	82.438, 119.429, 272.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.193 *
Rwork	0.217
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dqr
RMSD bond length	0.011
RMSD bond angle	23.770 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.049	0.346
Total number of observations	315852 *
Number of reflections	77413	7640 *
<I/σ(I)>	18.47	3.63
Completeness [%]	98.6	98.3
Redundancy	4.08	4.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	PEG 8000, IMIDAZOLE, POTASSIUM CHLORIDE, PHOSPHOGLUCOSE ISOMERASE, D-GLUCOSE-6-PHOSPHATE, MAGNESIUM ACETATE, SODIUM CACODYLATE, pH 7.5. VAPOR DIFFUSION, HANGING DROP at 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	18-20 (mg/ml)
2	1	drop	D-glucose 6-phosphate	5 (mM)
3	1	drop	imidazole	10 (mM)
4	1	drop		50 (mM)
5	1	reservoir	PEG8000	14.5 (%)
6	1	reservoir	magnesium acetate	250 (mM)
7	1	reservoir	sodium cacodylate	100 (mM)