3UEL
Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase bound to ADP-HPD
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.12712 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 130.773, 195.989, 163.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.000 |
R-factor | 0.24694 |
Rwork | 0.245 |
R-free | 0.27378 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.404 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.080 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 35972 | |
Completeness [%] | 90.1 | 97.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 16-20% PEG2000 monomethylether, 0.1M Tris-HCl pH7.5, 0.1M NaCl. 0.2M potassium thiocyanate. 200 uM ADP-HPD, VAPOR DIFFUSION, HANGING DROP, temperature 295K |