1QY4

Crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with gluconate 6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-07-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	36.000, 39.700, 74.700
Unit cell angles	73.70, 78.50, 72.60

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.22
Rwork	0.218
R-free	0.26600
Structure solution method	Simple refinement
Starting model (for MR)	1qxj
RMSD bond length	0.016
RMSD bond angle	1.720 *
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.800	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.056	0.355
Total number of observations	89107 *
Number of reflections	32924
<I/σ(I)>	8.8	2.7
Completeness [%]	93.5	90.9 *
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	25% PEG 4000, 0.2M ammonium acetate, 0.1 M sodium acetate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25 (%(w/v))
2	1	reservoir	ammonium acetate	0.2 (M)
3	1	reservoir	sodium acetate	0.1 (M)	pH5.6