7ON0
Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.8998 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.889, 38.683, 61.012 |
| Unit cell angles | 90.00, 101.76, 90.00 |
Refinement procedure
| Resolution | 32.490 - 1.460 |
| Rwork | 0.162 |
| R-free | 0.19030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1292116023 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.909 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.680 | 1.490 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.132 | 1.307 |
| Rmeas | 0.144 | 1.452 |
| Rpim | 0.057 | 0.623 |
| Number of reflections | 33508 | 1649 |
| <I/σ(I)> | 7.4 | 1.1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.4 | 5.3 |
| CC(1/2) | 0.995 | 0.513 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 123 mM potassium thiocyanate, 12% (w/v) PEG2000MME |
