1TL8
Human DNA topoisomerase I (70 kDa) in complex with the indenoisoquinoline AI-III-52 and covalent complex with a 22 base pair DNA duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.949, 114.141, 73.499 |
| Unit cell angles | 90.00, 94.18, 90.00 |
Refinement procedure
| Resolution | 46.570 - 3.100 |
| Rwork | 0.229 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 16738 | |
| <I/σ(I)> | 13.7 | 2.3 |
| Completeness [%] | 97.8 | 93.1 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 289 | PEG 8000, MES, Ammonium Sulfate, pH 6.40, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MES | ||
| 2 | 1 | 1 | PEG 8000 | ||
| 3 | 1 | 1 | Ammonium Sulfate | ||
| 4 | 1 | 2 | Ammonium Sulfate | ||
| 5 | 1 | 2 | PEG 8000 |
