6II2
Crystal structure of alpha-beta hydrolase (ABH) and Makes Caterpillars Floppy (MCF)-Like effectors of Vibrio vulnificus MO6-24/O
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.215, 108.593, 334.737 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.600 - 3.500 |
| R-factor | 0.28706 |
| Rwork | 0.285 |
| R-free | 0.32740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6II6 AND 6IMP |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.195 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.560 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmeas | 1.509 | |
| Rpim | 0.581 | |
| Number of reflections | 34303 | 1698 |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 89.9 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 22% PEG 4000, 0.1M Tris-HCl (pH 8.5), 0.2M Li2SO4 |
