9L5O
Crystal structure of the mutant Y549A of collagenase VhaC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.366, 49.478, 90.225 |
| Unit cell angles | 90.00, 103.79, 90.00 |
Refinement procedure
| Resolution | 49.780 - 1.900 |
| R-factor | 0.1798 |
| Rwork | 0.178 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.751 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.140 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | |
| Number of reflections | 47171 | 432 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 94.7 | |
| Redundancy | 2.4 | |
| CC(1/2) | 0.998 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | In the buffer containing 0.2 M lithium chloride, 0.1 M Tris-HCl (pH 8.0), and 24% (w/v) polyethylene glycol 8000. |
