7CT9
Crystal structure of SAH bound CmoB from Vibrio Vulnificus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-13 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97919 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.535, 50.462, 104.791 |
| Unit cell angles | 90.00, 122.97, 90.00 |
Refinement procedure
| Resolution | 30.410 - 2.300 |
| R-factor | 0.1746 |
| Rwork | 0.172 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qnx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.544 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.119 | 0.048 | 0.828 |
| Rmeas | 0.138 | 0.057 | 0.959 |
| Rpim | 0.069 | 0.030 | 0.478 |
| Total number of observations | 147619 | ||
| Number of reflections | 36969 | 1937 | 1818 |
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 99.9 | 99.1 | 99.9 |
| Redundancy | 4 | 3.7 | 3.9 |
| CC(1/2) | 0.995 | 0.701 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium malonate, PEG 3350 |
