4YIH
Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.918 |
Spacegroup name | P 1 |
Unit cell lengths | 38.818, 46.451, 61.738 |
Unit cell angles | 111.18, 88.16, 104.70 |
Refinement procedure
Resolution | 57.440 - 1.820 |
R-factor | 0.1868 |
Rwork | 0.185 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l57 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.083 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.443 | 1.930 | |
High resolution limit [Å] | 1.820 | 5.420 | 1.820 |
Rmerge | 0.046 | 0.030 | 0.462 |
Number of reflections | 33500 | 1229 | 5331 |
<I/σ(I)> | 12.27 | 33.42 | 2.09 |
Completeness [%] | 95.8 | 92.5 | 94.1 |
Redundancy | 2.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 40 mM potassium phosphate monobasic, 6% PEG8000, 20% gycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |