7C7M
The structure of SAM-bound CntL, an aminobutyrate transferase in staphylopine biosysnthesis
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 | 2018-12-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 45.522, 92.142, 56.669 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.270 - 1.810 |
| R-factor | 0.1864 |
| Rwork | 0.185 |
| R-free | 0.20696 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.273 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.270 | 1.850 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.088 | 0.560 |
| Number of reflections | 22386 | 1292 |
| <I/σ(I)> | 21.4 | |
| Completeness [%] | 99.8 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.999 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Bis-Tris pH 5.5, 2.0 M Ammonium sulfate |
