2Z6I
Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL32B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-03 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.90000, 0.97888, 0.97932 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.386, 126.895, 53.335 |
| Unit cell angles | 90.00, 111.54, 90.00 |
Refinement procedure
| Resolution | 29.140 - 1.700 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23500 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.145 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.140 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.083 | 0.226 |
| Number of reflections | 68157 | |
| <I/σ(I)> | 8.8 | 4.3 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 4.3 | 3.8 |
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 |
