1J3P

Crystal structure of Thermococcus litoralis phosphoglucose isomerase

Experimental procedure

Experimental method	MAD
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-22
Detector	RIGAKU RAXIS IV
Wavelength(s)	0.9797, 0.9800, 0.9839
Spacegroup name	P 21 21 21
Unit cell lengths	40.760, 82.170, 125.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.770 - 2.020
R-factor	0.219
Rwork	0.219
R-free	0.27100
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.400
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.770	2.090
High resolution limit [Å]	2.020	2.020
Rmerge	0.072	0.253
Number of reflections	28428
<I/σ(I)>	7	2.5
Completeness [%]	99.9	99.9
Redundancy	7.14	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	278	PEG 8000, potassium phosphate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K