4GV0
Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93340 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.679, 56.729, 56.953 |
Unit cell angles | 90.00, 112.69, 90.00 |
Refinement procedure
Resolution | 52.540 - 1.900 |
R-factor | 0.17222 |
Rwork | 0.170 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fhb |
RMSD bond length | 0.019 |
RMSD bond angle | 1.658 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.540 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.093 | 0.667 |
Number of reflections | 25121 | |
<I/σ(I)> | 20.1 | 3.4 |
Completeness [%] | 98.3 | 97.7 |
Redundancy | 7.6 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.1M DL-Malic Acid, 0.05M Bis-tris-propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |