4NR0
Crystal structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase (FabI) in complex with NAD+ and triclosan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.12713 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.784, 107.573, 73.517 |
| Unit cell angles | 90.00, 116.16, 90.00 |
Refinement procedure
| Resolution | 41.691 - 1.799 |
| R-factor | 0.1473 |
| Rwork | 0.146 |
| R-free | 0.17830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c14 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.167 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.799 | 1.799 |
| Number of reflections | 74501 | |
| Completeness [%] | 89.0 | 52.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 0.1M sodium malonate pH 5.0, 10% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
