5KP2
Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae cocrystallized with octanoyl-CoA: hydrolzed ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.670, 61.242, 71.524 |
| Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
| Resolution | 27.000 - 2.000 |
| R-factor | 0.19521 |
| Rwork | 0.194 |
| R-free | 0.22095 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wzu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.339 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.000 | 27.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.410 | 2.000 |
| Rmerge | 0.100 | 0.050 | 0.413 |
| Rmeas | 0.121 | ||
| Rpim | 0.067 | ||
| Total number of observations | 141501 | ||
| Number of reflections | 48065 | ||
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 96.7 | 91.5 | 96.9 |
| Redundancy | 2.9 | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 289 | 0.2 M ammonium phosphate, 20% PEG3350 |
