7OMZ
Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA and nicotinamide
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 | 41.963, 38.890, 61.179 |
Unit cell angles | 90.00, 101.81, 90.00 |
Refinement procedure
Resolution | 37.685 - 1.660 |
Rwork | 0.151 |
R-free | 0.18050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1292116023 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.847 |
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] | 38.890 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.134 | 0.622 |
Rmeas | 0.149 | 0.721 |
Rpim | 0.063 | 0.356 |
Number of reflections | 22671 | 944 |
<I/σ(I)> | 6.6 | 1.6 |
Completeness [%] | 98.1 | 80.7 |
Redundancy | 5.3 | 3.7 |
CC(1/2) | 0.992 | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 150 mM potassium thiocyanate, 10% (w/v) PEG2000MME |