1EJ9
CRYSTAL STRUCTURE OF HUMAN TOPOISOMERASE I DNA COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | OTHER |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.980, 124.920, 72.290 |
| Unit cell angles | 90.00, 93.84, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.600 |
| Rwork | 0.214 |
| R-free | 0.28100 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 22.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.068 | 0.288 |
| Number of reflections | 29834 | |
| <I/σ(I)> | 21.1 | |
| Completeness [%] | 1.0 | 0.87 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 22 * | 27% PEG 400, 145 mM MgCl2, 20 mM MES pH 6.8, 5 mM Tris pH 8.0, 30 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MES | ||
| 2 | 1 | 1 | Tris | ||
| 3 | 1 | 1 | DTT | ||
| 4 | 1 | 1 | PEG 400 | ||
| 5 | 1 | 1 | MgCl2 | ||
| 6 | 1 | 2 | PEG 400 | ||
| 7 | 1 | 2 | MgCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 10 | 1 | reservoir | oligonucleotide | 0.1 (mM) | |
| 11 | 1 | reservoir | 6 (mM) | ||
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | Tris-HCl | 5 (mM) | |
| 6 | 1 | reservoir | Mes-NaOH | 20 (mM) | |
| 7 | 1 | reservoir | PEG400 | 27 (%) | |
| 8 | 1 | reservoir | 145 (mM) | ||
| 9 | 1 | reservoir | dithiothreitol | 30 (mM) |
