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. |