7CTA
Crystal structure of Cx-SAM bound CmoB from Vibrio vulnificus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97940 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.962, 50.574, 104.410 |
| Unit cell angles | 90.00, 122.70, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.900 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qnx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.489 |
| 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 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.127 | 0.063 | 0.366 |
| Rmeas | 0.148 | 0.073 | 0.431 |
| Rpim | 0.075 | 0.037 | 0.224 |
| Total number of observations | 65694 | ||
| Number of reflections | 17780 | 942 | 851 |
| <I/σ(I)> | 3.6 | ||
| Completeness [%] | 97.8 | 96.4 | 94 |
| Redundancy | 3.7 | 3.6 | 3.4 |
| CC(1/2) | 0.993 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Lithium sulfate monohydrate, TRIS hydrochloride pH 8.5, PEG 4000 |
