1MTO

Crystal structure of a Phosphofructokinase mutant from Bacillus stearothermophilus bound with fructose-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2000-03-05
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	110.682, 106.872, 119.588
Unit cell angles	90.00, 113.98, 90.00

Refinement procedure

Resolution	29.840 - 3.100 *
R-factor	0.189
Rwork	0.180
R-free	0.27460 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pfk
RMSD bond length	0.008 *
RMSD bond angle	1.146 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.840
High resolution limit [Å]	3.100 *
Rmerge	0.101 *
Total number of observations	106908 *
Number of reflections	46829
Completeness [%]	91.6 *	89.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	PEG 8000, Sodium Cacodylate, Calcium Acetate, Fructose-6-phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	12 (%)
2	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
3	1	reservoir	calcium acetate	0.2 (M)
4	1	reservoir	Fru-6-P	1 (mM)
5	1	drop	protein	7.5 (mg/ml)