8KB6
Crystal Structure of Canine TNF-alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 98 |
| Detector technology | CCD |
| Collection date | 2022-05-10 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 67.119, 67.119, 79.024 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.780 - 1.850 |
| R-factor | 0.170531742474 |
| Rwork | 0.168 |
| R-free | 0.21492 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.999 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.1.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.030 | 0.242 |
| Number of reflections | 11257 | 1128 |
| <I/σ(I)> | 44.9 | 5.9 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 4.7 | 4.7 |
| CC(1/2) | 0.980 | 0.960 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.6 M MgSO4, 100 mM MES, pH 5.6. |
