3GOY
Crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-10 |
Detector | ADSC QUANTUM Q315r |
Wavelength(s) | 0.98003 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 82.750, 144.270, 79.700 |
Unit cell angles | 90.00, 100.55, 90.00 |
Refinement procedure
Resolution | 24.558 - 2.800 |
R-factor | 0.2546 |
Rwork | 0.253 |
R-free | 0.29250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blj |
RMSD bond length | 0.007 |
RMSD bond angle | 0.956 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.146 | 0.754 |
Number of reflections | 22380 | |
<I/σ(I)> | 10.2 | 2.9 |
Completeness [%] | 98.7 | 98 |
Redundancy | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG3350, 0.2M Sodium-malonate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |