1A31
HUMAN RECONSTITUTED DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.000, 66.600, 71.800 |
| Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.247 |
| Rwork | 0.247 |
| R-free | 0.31000 |
| Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT WITH ANOMALOUS SCATTERING |
| RMSD bond length | 0.013 |
| RMSD bond angle | 22.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.055 | 0.234 * |
| Total number of observations | 79570 * | |
| Number of reflections | 42786 | |
| <I/σ(I)> | 10.9 | 2.7 |
| Completeness [%] | 92.7 | 95.5 |
| Redundancy | 1.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 22 * | pH 7.7, 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) |
