1A35
HUMAN TOPOISOMERASE I/DNA COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06 |
| Detector | FUJI |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.800, 66.300, 71.800 |
| Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.209 * |
| Rwork | 0.209 |
| R-free | 0.30800 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | RECONSTITUTED HUMAN TOPOISOMERASE I COVALENT COMPLEX WITH 22 BASE PAIR DUPLEX DNA |
| RMSD bond length | 0.011 |
| RMSD bond angle | 22.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.077 | 0.269 |
| Total number of observations | 78779 * | |
| Number of reflections | 18834 | |
| Completeness [%] | 83.9 | 87.7 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 22 * | pH 7.70, VAPOR DIFFUSION, SITTING DROP, temperature 295.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | TRIS-HCL | ||
| 10 | 1 | 3 | TRIS-HCL | ||
| 11 | 1 | 3 | MGCL2 | ||
| 12 | 1 | 3 | PEG 400 | ||
| 2 | 1 | 1 | EDTA | ||
| 3 | 1 | 1 | DTT | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 1 | PEG 400 | ||
| 6 | 1 | 2 | TRIS-HCL | ||
| 7 | 1 | 2 | MGCL2 | ||
| 8 | 1 | 2 | DTT | ||
| 9 | 1 | 2 | PEG 400 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG400 | 8 (%) | |
| 10 | 1 | drop | Tris-HCl | 2 (mM) | pH7.5 |
| 11 | 1 | drop | dithiothreitol | 2 (mM) | |
| 2 | 1 | reservoir | 33.3 (mM) | ||
| 3 | 1 | reservoir | Tris | 35.5 (mM) | pH7.7 |
| 4 | 1 | reservoir | 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) |
