4HE2

Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-26
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.9795
Spacegroup name	P 42 21 2
Unit cell lengths	73.366, 73.366, 146.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.1816
Rwork	0.181
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eyi
RMSD bond length	0.009
RMSD bond angle	1.266
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.051	0.033	0.493
Number of reflections	51809
<I/σ(I)>	13.9
Completeness [%]	96.5	90	98.7
Redundancy	6.7	6.3	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1M MgCl2, 15% PEG 4000, 0.1M Hepes pH 7.5, vapor diffusion, hanging drop, temperature 295K