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 |