1JY1
CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE (TDP1)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2001-05-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792,0.9794,0.9640 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 186.445, 52.030, 56.313 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.690 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22900 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.813 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.063 | 0.192 |
| Number of reflections | 59625 | |
| <I/σ(I)> | 13.42 | 10.17 |
| Completeness [%] | 96.0 | 76.4 |
| Redundancy | 4.48 | 1.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 * | 298 | PEG 8000, sodium chloride, CHES, spermine, pH 9.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 250 (mM) | ||
| 2 | 1 | drop | Tris | 15 (mM) | pH8.2 |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | TCEP | 2 (mM) | |
| 5 | 1 | drop | protein | 5-6 (mg/ml) | |
| 6 | 1 | reservoir | PEG8000 | 11-15 (%) | |
| 7 | 1 | reservoir | CHES | 100 (mM) | pH9.6 |
| 8 | 1 | reservoir | spermine | 2-15 (mM) |
