2FUE

Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.100
Spacegroup name	P 43 21 2
Unit cell lengths	51.390, 51.390, 214.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.200 - 1.750
R-factor	0.20422
Rwork	0.202
R-free	0.24033
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2fuc
RMSD bond length	0.008
RMSD bond angle	1.120
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.050	0.455
Number of reflections	28735
<I/σ(I)>	42.4	4
Completeness [%]	94.8	75.5
Redundancy	13.7	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				Crystals grown by hanging drop vapor diffusion over mother liquor containing 15-18% polyethylene glycol 3350, 0.15M D,L-malic acid, pH 7.0, 50mM MgCL2, and 8mM 2-mercaptoethanol. Drops were formed by mixing 2ul of protein solution (10mM HEPES, pH 7.5, 100mM NaCl, 5mM MgCl2) at 15-25mg/ml with 2ul of mother liquor. Crystals grew after one to three days at 296 K.