1GYN

Class II fructose 1,6-bisphosphate aldolase with Cadmium (not Zinc) in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	277
Detector technology	IMAGE PLATE
Detector	FUJI
Spacegroup name	P 61 2 2
Unit cell lengths	77.331, 77.331, 290.851
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.300 * - 2.000
R-factor	0.169
Rwork	0.168
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zen
RMSD bond length	0.020
RMSD bond angle	2.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.300	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.060 *	0.290 *
Total number of observations	102727 *
Number of reflections	31355
<I/σ(I)>	12.8	1.3
Completeness [%]	86.9	51
Redundancy	2.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5 *		pH 7.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	16.5 (mg/ml)
2	1	1	Tris-HCl	50 (mM)	pH7.5
3	1	1	PEG4000	3-4 (%(w/v))
4	1	1		2 (mM)