4L7L
Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.169, 56.770, 56.637 |
Unit cell angles | 90.00, 112.53, 90.00 |
Refinement procedure
Resolution | 28.390 - 2.100 |
R-factor | 0.17421 |
Rwork | 0.172 |
R-free | 0.22288 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gv4 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.638 |
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] | 30.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.132 | 0.608 |
Number of reflections | 18469 | |
<I/σ(I)> | 13.9 | 2.7 |
Completeness [%] | 96.9 | 78.3 |
Redundancy | 7 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.95M DL-Malic Acid, 0.1M Bis-tris-propane , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |