1LBX

Crystal Structure of a ternary complex of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with Calcium ions and D-myo-Inositol-1-Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-03-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	53.024, 54.584, 83.060
Unit cell angles	90.00, 104.95, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.182 *
Rwork	0.183
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dk4
RMSD bond length	0.005 *
RMSD bond angle	0.016 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.136	0.590
Number of reflections	15657
<I/σ(I)>	9.7	1.7
Completeness [%]	94.3 *	92.1 *
Redundancy	7.0 *	4.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 3350, ammonium phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

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