4F0D
Human ARTD15/PARP16 IN COMPLEX WITH 3-AMINOBENZAMIDE
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 | 2011-03-10 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.94861 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 117.824, 195.349, 60.412 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.630 - 2.700 |
R-factor | 0.2483 |
Rwork | 0.246 |
R-free | 0.28710 |
Structure solution method | MIRAS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | autoSHARP |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.072 | 0.819 |
<I/σ(I)> | 25.3 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.8 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.6 | 293 | 22% PEG 3350, 200 mM di-ammonium tartrate, 0.2 M NaCl, 20% glycerol, pH 6.6, VAPOR DIFFUSION, temperature 293K |