3SMJ
Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a pyrimidine-like inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-09-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97908 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.473, 67.755, 144.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.660 - 1.500 |
R-factor | 0.18208 |
Rwork | 0.180 |
R-free | 0.21232 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3smi |
RMSD bond length | 0.018 |
RMSD bond angle | 1.735 |
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 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.070 | 0.390 |
Number of reflections | 62739 | |
<I/σ(I)> | 17.6 | 5.8 |
Completeness [%] | 99.1 | 97.3 |
Redundancy | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% PEG 3350, 0.1M Bis-tris, 0.2M Na2SO4, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |