4PJT
Structure of PARP1 catalytic domain bound to inhibitor BMN 673
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97648 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.690, 108.150, 142.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.940 | 2.410 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.079 | 0.479 |
Number of reflections | 66890 | |
<I/σ(I)> | 17.2 | 3.8 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.2 | 298 | 2.1 M AMMONIUM SULFATE, 100mM TRIS, PH 7.2 |