6JIW
Crystal structure of S. aureus CntK with C72S mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2018-09-29 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.090, 60.067, 76.920 |
| Unit cell angles | 90.00, 116.63, 90.00 |
Refinement procedure
| Resolution | 43.400 - 1.580 |
| R-factor | 0.17526 |
| Rwork | 0.174 |
| R-free | 0.19810 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.394 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.095 | 0.510 |
| Number of reflections | 39036 | 3894 |
| <I/σ(I)> | 27.2 | 3.25 |
| Completeness [%] | 99.2 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.20 Lithium sulfate, 0.10 M Bis-Tris pH 6.5, 25% PEG 3350. |
