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 |