2AKM

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	2005-06-18
Detector	MARRESEARCH
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	111.739, 119.692, 68.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.920
R-factor	0.2419
Rwork	0.211
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1te6
RMSD bond length	0.006
RMSD bond angle	1.205
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.990
High resolution limit [Å]	1.920	1.920
Rmerge	0.097	0.432
Number of reflections	56605
<I/σ(I)>	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG4000, MgCl2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K