3SQ3
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H182A Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2008-10-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.148, 81.786, 98.585 |
| Unit cell angles | 86.92, 85.53, 67.10 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.20631 |
| Rwork | 0.205 |
| R-free | 0.23054 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q32 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.811 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.064 | 0.435 |
| Number of reflections | 69246 | |
| <I/σ(I)> | 10.1 | 2.2 |
| Completeness [%] | 50.0 | 95.3 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 20% PEG3350, 0.1M HEPES, 0.2M Calcium Chloride, 5mM TCEP, 5% Hexanendiol-1,6, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
