4NAH
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Detector technology | CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.476, 105.360, 79.980 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 41.701 - 2.380 |
| R-factor | 0.21982 |
| Rwork | 0.216 |
| R-free | 0.29205 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.888 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 105.410 |
| High resolution limit [Å] | 2.380 |
| Number of reflections | 45145 |
| Completeness [%] | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 14% to 19% polyethylene glycol 3350 (PEG 3350), 200 mM ammonium sulfate, 0.1M Propionic acid Cacodylate Bis-tris propane buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
