4H46

Crystal Structure of AMP complexes of NEM modified Porcine Liver Fructose-1,6-bisphosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-11-24
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	62.561, 78.673, 164.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.300 - 2.500
R-factor	0.19745
Rwork	0.194
R-free	0.25644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f3d
RMSD bond length	0.022
RMSD bond angle	2.052
Data reduction software	d*TREK (9.7L)
Data scaling software	d*TREK (9.7L)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.100	42.100	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.111	0.056	0.344
Number of reflections	13863
<I/σ(I)>	7.2	12.7	2.6
Completeness [%]	95.6	89.3	98.4
Redundancy	3.73	3.78	3.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG3350, t-butyl alcohol, 1,2-ethanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K