1LPQ
Human DNA Topoisomerase I (70 Kda) In Non-Covalent Complex With A 22 Base Pair DNA Duplex Containing an 8-oxoG Lesion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRANDEIS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.200, 122.500, 72.000 |
| Unit cell angles | 90.00, 97.40, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 3.140 |
| Rwork | 0.256 |
| R-free | 0.30000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.410 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.190 |
| High resolution limit [Å] | 3.140 | 3.140 |
| Rmerge | 0.059 * | 0.300 |
| Total number of observations | 38120 * | |
| Number of reflections | 17165 | |
| <I/σ(I)> | 11.9 | 2.7 |
| Completeness [%] | 95.6 | 90.5 |
| Redundancy | 2.22 * | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.8 | 22 * | Stewart, L., (1998) Science, 279, 1534. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tris-HCl | ||
| 2 | 1 | 1 | MES | ||
| 3 | 1 | 1 | PEG 400 | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 1 | dithiothreitol | ||
| 6 | 1 | 2 | MgCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 5 (mM) | pH6.0 | |
| 10 | 1 | drop | EDTA | 0.3 (mM) | |
| 2 | 1 | drop | MES-HCl | 8.6 (mM) | pH6.8 |
| 3 | 1 | drop | PEG400 | 12 (%(v/v)) | |
| 4 | 1 | drop | 62 (mM) | ||
| 5 | 1 | drop | 14 (mM) | ||
| 6 | 1 | drop | oligonucleotide | 0.01 (mM) | |
| 7 | 1 | drop | 0.9 (mM) | ||
| 8 | 1 | drop | protein | 1.4 (mg/ml) | |
| 9 | 1 | drop | water | 0.002ml |
