3GNT
Crystal Structure of the Staphylococcus aureus Enoyl-Acyl Carrier Protein Reductase (FabI) in apo form (two molecules in AU)
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 | 2008-05-08 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.099, 74.462, 70.609 |
| Unit cell angles | 90.00, 119.35, 90.00 |
Refinement procedure
| Resolution | 34.960 - 2.750 |
| R-factor | 0.24329 |
| Rwork | 0.242 |
| R-free | 0.27823 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pd3 |
| RMSD bond length | 0.046 |
| RMSD bond angle | 4.260 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.090 | 0.180 |
| Number of reflections | 10886 | |
| <I/σ(I)> | 12.7 | 2.4 |
| Completeness [%] | 96.0 | 47 |
| Redundancy | 4.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 15% PEG 400, 0.1M Tris pH 8.0, 4% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
