4F1L
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-19 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 |
Unit cell lengths | 39.649, 81.894, 83.187 |
Unit cell angles | 60.12, 78.32, 80.31 |
Refinement procedure
Resolution | 34.890 - 1.900 |
R-factor | 0.1988 |
Rwork | 0.197 |
R-free | 0.23939 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3smi |
RMSD bond length | 0.018 |
RMSD bond angle | 1.652 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.066 | 0.521 |
Number of reflections | 67716 | |
<I/σ(I)> | 12.1 | 3.8 |
Completeness [%] | 96.7 | 95.7 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 20% (w/v) polyethylene glycol (PEG) 3350, 0.2 M sodium nitrate, 0.1 M Bis-Tris, 1.3mM A16, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |