1LBZ

Crystal Structure of a complex (P32 crystal form) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with 3 Calcium ions and Fructose-1,6 bisphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	110
Detector technology	CCD
Collection date	2001-10-11
Detector	RIGAKU JUPITER
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	89.610, 89.610, 102.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.179 *
Rwork	0.213
R-free	0.24400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dk4
RMSD bond length	0.010 *
RMSD bond angle	0.025 *
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.125	0.490
Number of reflections	40128 *
<I/σ(I)>	5.4	1
Completeness [%]	99.3 *	90.5 *
Redundancy	3.1 *	2.2 *

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)