1LE5
Crystal structure of a NF-kB heterodimer bound to an IFNb-kB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 1998-03-26 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.525, 138.015, 89.320 |
| Unit cell angles | 90.00, 97.25, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.750 |
| Rwork | 0.260 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vkx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.370 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.068 * | 0.443 |
| Total number of observations | 280181 * | |
| Number of reflections | 42487 | |
| <I/σ(I)> | 10.4 | 3.2 |
| Completeness [%] | 99.0 * | 99 * |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 18 * | 50 mM Na acatate, 50mM CaCl2, 1.0 mM Na spermine, 8% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Na(C2H3O2) | ||
| 2 | 1 | 1 | CaCl2 | ||
| 3 | 1 | 1 | Na spermine | ||
| 4 | 1 | 1 | PEG 3350 | ||
| 5 | 1 | 2 | Na(C2H3O2) | ||
| 6 | 1 | 2 | CaCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | reservoir | sodium acetate | 50 (mM) | pH5.5 |
| 3 | 1 | reservoir | 50 (mM) | ||
| 4 | 1 | reservoir | beta-octyl glucopyranoside | 0.125 (%) | |
| 5 | 1 | reservoir | spermine | 1.0 (mM) | |
| 6 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 7 | 1 | reservoir | PEG3350 | 7-8 (%) |
