3IT8
Crystal structure of TNF alpha complexed with a poxvirus MHC-related TNF binding protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-21 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0047 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.656, 170.295, 122.002 |
| Unit cell angles | 90.00, 92.04, 90.00 |
Refinement procedure
| Resolution | 38.770 - 2.800 |
| R-factor | 0.2362 |
| Rwork | 0.236 |
| R-free | 0.26580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1TNF and PDB ENTRY 1T7V |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.480 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.081 | 0.030 | 0.472 |
| Number of reflections | 99161 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 96.8 | 99.5 | 81 |
| Redundancy | 3.7 | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | PEG 6000, sodium citrate, 0.2M NaBr, pH 5.5, vapor diffusion, hanging drop, temperature 298K |
