2AKZ

Fluoride Inhibition of Enolase: Crystal Structure of the Inhibitory Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.99997
Spacegroup name	P 21 21 2
Unit cell lengths	109.007, 118.515, 67.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.360
R-factor	0.1118
Rwork	0.110
R-free	0.14430
Structure solution method	AB INITIO
RMSD bond length	0.016
RMSD bond angle	0.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.410
High resolution limit [Å]	1.360	1.360
Rmerge	0.062	0.352
Number of reflections	164608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, MgCl2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K