2GC2

The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with Fructose 6-phosphate and zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-03-21
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	70.067, 73.945, 74.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.100
R-factor	0.176
Rwork	0.172
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x8e
RMSD bond length	0.019
RMSD bond angle	1.761
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.445	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.440
Total number of observations		20699
Number of reflections	23192	3341
<I/σ(I)>	8.1	1.7
Completeness [%]	99.9	99.9
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	290	0.1 M ammonium sulphate, 0.1 M sodium acetate trihydrate pH 4.6 and 20% PEG monoethyl ether 2000, 5mM ZnCl2, 50mM fructose 6-phosphate , VAPOR DIFFUSION, HANGING DROP, temperature 290K