1Q9D

Fructose-1,6-bisphosphatase Complexed with a New Allosteric Site Inhibitor (I-State)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	120
Detector technology	AREA DETECTOR
Collection date	1999-06-16
Detector	SIEMENS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	58.860, 166.250, 80.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.197
Rwork	0.191
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eyj
RMSD bond length	0.012
RMSD bond angle	24.100 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.450
High resolution limit [Å]	2.350	2.350
Rmerge	0.059
Total number of observations	94949 *
Number of reflections	28849
Completeness [%]	87.5	65.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	20 *	PEG 3350, Tris-malonate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	KPi	10 (mM)	pH7.4
3	1	drop		5 (mM)
4	1	drop	F6P	5 (mM)
5	1	drop	OC252	2 (mM)
6	1	reservoir	Tris malonate	2.5 (mM)	pH7.4
7	1	reservoir	PEG3350	6 (%(w/v))