1K4T
HUMAN DNA TOPOISOMERASE I (70 KDA) IN COMPLEX WITH THE POISON TOPOTECAN AND COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.093, 116.260, 75.217 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.100 |
| Rwork | 0.229 |
| R-free | 0.27100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.170 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.062 * | |
| Number of reflections | 46866 | |
| <I/σ(I)> | 18.6 | 1.71 |
| Completeness [%] | 81.1 * | 32.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 16 * | PEG 8000, Ammonium Sulfate, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | Ammonium Sulfate | ||
| 3 | 1 | 1 | MES |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 10 (%(w/v)) | |
| 2 | 1 | reservoir | lithium sulfate | 200 (mM) | |
| 3 | 1 | reservoir | 100 (mM) | pH6.5 | |
| 4 | 1 | drop | suicide duplex substrate | 0.05 (mM) | |
| 5 | 1 | drop | topotecan | 10 (mM) |
