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) |