4L7U
Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398
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 | 2012-02-02 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.188, 56.752, 56.905 |
Unit cell angles | 90.00, 112.10, 90.00 |
Refinement procedure
Resolution | 27.400 - 2.800 |
R-factor | 0.2424 |
Rwork | 0.240 |
R-free | 0.28810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gv4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.150 | 0.629 |
Number of reflections | 8138 | 1576 |
<I/σ(I)> | 9.5 | 3 |
Completeness [%] | 99.2 | 99.4 |
Redundancy | 4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.9M DL-Malic Acid, 0.1M Bis-tris-propane , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |