1A36
TOPOISOMERASE I/DNA COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1995-05 |
Detector | FUJI |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.500, 118.400, 71.500 |
Unit cell angles | 90.00, 101.20, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.800 |
R-factor | 0.224 |
Rwork | 0.224 |
R-free | 0.31200 |
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 | 0.013 |
RMSD bond angle | 22.100 * |
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 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.055 | 0.305 |
Total number of observations | 63314 * | |
Number of reflections | 21217 | |
Completeness [%] | 94.7 | 86.8 |
Redundancy | 3.0 * | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 * | 22 * | pH 7.70 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 2.2 (mM) | pH6.0 |
10 | 1 | drop | EDTA | 0.3 (mM) | |
11 | 1 | drop | Tris-HCl | 2.8 (mM) | pH7.5 |
12 | 1 | drop | dithiothreitol | 1.4 (mM) | |
2 | 1 | reservoir | MES-HCl | 8.6 (mM) | pH6.8 |
3 | 1 | reservoir | PEG400 | 12 (%(v/v)) | |
4 | 1 | reservoir | 62 (mM) | ||
5 | 1 | reservoir | dithiothreitol | 14 (mM) | |
6 | 1 | drop | water | 0.002ml | |
7 | 1 | drop | oligonucleotide | 0.01 (mM) | |
8 | 1 | drop | 0.9 (mM) | ||
9 | 1 | drop | protein | 1.4 (mg/ml) |