3SQ8
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase 1 H432R Mutant (SCAN1 Mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2008-06-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.871, 81.492, 96.787 |
| Unit cell angles | 89.52, 84.90, 67.82 |
Refinement procedure
| Resolution | 24.790 - 2.100 |
| R-factor | 0.18939 |
| Rwork | 0.187 |
| R-free | 0.22607 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q32 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.384 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.056 | 0.287 |
| Number of reflections | 98077 | |
| <I/σ(I)> | 20.4 | 3.7 |
| Completeness [%] | 93.7 | 74.5 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 291 | 24% PEG3350, 0.1M HEPES, 0.2M magnesium formate, 5mM TCEP, 2% Hexanediol-1,6, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
