4WZU
Crystal structure of beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae
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 21 21 2 |
| Unit cell lengths | 78.858, 60.212, 68.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.000 - 1.880 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ebd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.336 |
| 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] | 50.000 | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 5.100 | 1.880 |
| Rmerge | 0.081 | 0.047 | 0.632 |
| Rmeas | 0.088 | 0.052 | 0.696 |
| Rpim | 0.035 | 0.022 | 0.287 |
| Total number of observations | 173246 | ||
| Number of reflections | 27226 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.9 | 99.3 | 99.5 |
| Redundancy | 6.4 | 5.7 | 5.8 |
| CC(1/2) | 0.997 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Succinic acid,20% (w/v) PEG 3350 |
