1LBY

Crystal Structure of a complex (P32 crystal form) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with 3 Manganese ions, Fructose-6-Phosphate, and Phosphate ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	110
Detector technology	CCD
Collection date	2001-12-21
Detector	RIGAKU JUPITER
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	89.250, 89.250, 102.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.250
R-factor	0.154
Rwork	0.152
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dk4
RMSD bond length	0.007
RMSD bond angle	0.022
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.133	0.400
Number of reflections	41212 *
<I/σ(I)>	5.5	1
Completeness [%]	96.7	92.5 *
Redundancy	2.5 *	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	298	PEG 3350, ammonium nitrate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium nitrate	0.2 (M)
2	1	reservoir	PEG3350	30 (%)
3	1	drop	protein	10 (mg/ml)