7OMY
Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.499, 39.104, 61.636 |
| Unit cell angles | 90.00, 99.46, 90.00 |
Refinement procedure
| Resolution | 37.542 - 1.600 |
| Rwork | 0.162 |
| R-free | 0.19680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1292116023 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.845 |
| 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] | 39.110 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.092 | 0.803 |
| Rmeas | 0.104 | 0.939 |
| Rpim | 0.047 | 0.479 |
| Number of reflections | 26615 | 1958 |
| <I/σ(I)> | 7.4 | 1.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 4.3 | |
| CC(1/2) | 0.996 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 50 mM potassium thiocyanate, 10% (w/v) PEG2000MME |
