1LX6
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
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 | 1999-02-11 |
Detector | BRANDEIS |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.440, 79.440, 327.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.000 * - 2.400 |
Rwork | 0.188 |
R-free | 0.25100 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 1C14 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.057 | 0.198 |
Total number of observations | 66826 * | |
Number of reflections | 22357 * | |
<I/σ(I)> | 18.5 | 2.8 |
Completeness [%] | 90.6 * | 82.8 * |
Redundancy | 3.0 * | 1.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Qiu, X., (1999) Protein Sci., 8, 2529. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
3 | 1 | reservoir | ammonium sulfate | 2 (M) | |
4 | 1 | reservoir | PEG400 | 5 (%) | |
5 | 1 | reservoir | ammonium sulfate | 20 (%) |