2Z6J
Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL32B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-16 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.630, 126.485, 53.522 |
| Unit cell angles | 90.00, 112.04, 90.00 |
Refinement procedure
| Resolution | 29.080 - 2.300 |
| R-factor | 0.25226 |
| Rwork | 0.249 |
| R-free | 0.30638 |
| Starting model (for MR) | 2z6i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.216 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.080 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.083 | 0.163 |
| Number of reflections | 25448 | |
| <I/σ(I)> | 9.2 | 4.5 |
| Completeness [%] | 91.9 | 90 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 8-15% PEG 1000, 8-15% MPD, 0.1M MES pH 5.5-7.0, 0.1M ammonium chloride, 0.2M calcium chloride, 5mM dithiothreitol , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
