6BHV
Human PARP-1 bound to NAD+ analog benzamide adenine dinucleotide (BAD)
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 | 2016-07-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.510, 75.356, 85.607 |
| Unit cell angles | 98.66, 104.94, 106.73 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.19901 |
| Rwork | 0.198 |
| R-free | 0.22233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ds3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.489 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 43372 |
| <I/σ(I)> | 13.2 |
| Completeness [%] | 97.8 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PARP-1 CATdeltaHD (30 mg/ml) was crystallized in the presence of 1.6 mM BAD in 24 to 29% PEG 3350, 0.2 M NaCl, 0.1 M Bis-Tris pH 5.5 |
