1QSG
CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 1999-02-07 |
Detector | ADSC QUANTUM 4r |
Spacegroup name | P 1 |
Unit cell lengths | 73.733, 82.077, 84.177 |
Unit cell angles | 89.54, 87.43, 77.77 |
Refinement procedure
Resolution | 20.000 - 1.750 |
Rwork | 0.172 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dfi |
RMSD bond length | 0.012 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.044 | 0.357 |
Number of reflections | 183224 | |
<I/σ(I)> | 13.2 | 1.6 |
Completeness [%] | 94.2 | 90.5 |
Redundancy | 1.85 | 1.64 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295.15 | PEG 4000, AMMONIUM ACETATE, SODIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K |