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 |