1QXJ

Crystal structure of native phosphoglucose isomerase from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-07-04
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	0.197 *
Rwork	0.194
R-free	0.24900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1PLZ
RMSD bond length	0.011
RMSD bond angle	1.470 *
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.700	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.324
Total number of observations	130434 *
Number of reflections	34845
<I/σ(I)>	18.5	2.7
Completeness [%]	92.1	83.4
Redundancy	3.74	3.8

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