1NH3
Human Topoisomerase I Ara-C Complex
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 |
| Collection date | 2001-02-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 32 |
| Unit cell lengths | 72.970, 72.970, 186.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.000 * - 3.100 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.24300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a31 |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.550 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 * | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.135 * | 0.415 * |
| Total number of observations | 169504 * | |
| Number of reflections | 13878 | |
| Completeness [%] | 69.3 | 54.7 |
| Redundancy | 12.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 22 * | Redinbo, M.R., (1998) Science, 279, 1504. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG400 | 8 (%) | |
| 2 | 1 | drop | 33.3 (mM) | ||
| 3 | 1 | drop | Tris | 35.5 (mM) | |
| 4 | 1 | drop | dithiothreitol | 4.4 (mM) | |
| 5 | 1 | drop | water | 0.003ml | |
| 6 | 1 | drop | oligo | 0.01 (mM) | |
| 7 | 1 | drop | 0.7 (mM) | ||
| 8 | 1 | drop | protein | 1 (mg/ml) | |
| 9 | 1 | drop | EDTA | 0.2 (mM) |
