4X0O
Beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae soaked with Acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.763, 86.980, 157.342 |
| Unit cell angles | 90.06, 89.96, 90.08 |
Refinement procedure
| Resolution | 26.700 - 2.200 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wzu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.307 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.000 | 27.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.950 | 2.200 |
| Rmerge | 0.061 | 0.024 | 0.294 |
| Total number of observations | 309286 | ||
| Number of reflections | 161089 | ||
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 96.4 | 98.3 | 86.7 |
| Redundancy | 1.9 | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.22 M malonate, 18% (w/v) PEG 3350 |
