5DS3
Crystal structure of constitutively active PARP-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 93.405, 93.405, 134.197 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.580 - 2.600 |
R-factor | 0.20232 |
Rwork | 0.200 |
R-free | 0.25087 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gjw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.228 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.710 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 11207 | |
<I/σ(I)> | 11.8 | 1.4 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 13.8 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 20-25% PEG 3350, 0.2 M Ammonium Sulfate, 0.1 M Bis-Tris, pH 5.5 |