3Q71
Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9077 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 66.350, 66.350, 110.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.730 - 2.200 |
| R-factor | 0.19088 |
| Rwork | 0.187 |
| R-free | 0.22273 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iid |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.298 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.149 | 0.584 |
| Number of reflections | 14842 | |
| <I/σ(I)> | 14 | 4.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 277 | 1.4M Ammonium Sulfate, 0.1M Sodium Acetate, 0.4M Sodium Chloride, 4mM ADP-ribose, 4mM Magnesium Chloride, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
