3SQ5
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N 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 | 2008-07-17 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 1 |
Unit cell lengths | 64.453, 82.036, 98.677 |
Unit cell angles | 89.80, 94.33, 112.78 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q32 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.907 |
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 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.071 | 0.241 |
Number of reflections | 75956 | |
<I/σ(I)> | 13.8 | |
Completeness [%] | 92.8 | 97.3 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 291 | 20% PEG3350, 0.1M HEPES, 0.2M magnesium sulfate, 5mM TCEP, 3% Hexanediol-1,6, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |