1FT4
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-02-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 67.800, 67.800, 190.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.900 |
| R-factor | 0.274 * |
| Rwork | 0.274 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 3.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.000 |
| High resolution limit [Å] | 2.900 |
| Rmerge | 0.093 |
| Number of reflections | 9191 |
| <I/σ(I)> | 17 |
| Completeness [%] | 88.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 * | Rodseth, L.E., (1994) J.Mol.Biol., 239, 332. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.6 (mg/ml) | |
| 2 | 1 | drop | MPD | 25 (%(v/v)) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | drop | beta-octylglucoside | 0.1 (%(w/v)) | |
| 5 | 1 | drop | 100 (mM) | ||
| 6 | 1 | drop | ammonium acetate | 250 (mM) | |
| 7 | 1 | reservoir | MPD | 54 (%) | |
| 8 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 9 | 1 | reservoir | ammonium acetate | 500 (mM) |
