9LD6
The complex structure of TkoKptA/DNA/NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.637, 83.637, 67.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.750 - 2.010 |
| R-factor | 0.2366 |
| Rwork | 0.234 |
| R-free | 0.27680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.037 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.140 | 2.120 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.173 | 6.207 |
| Rmeas | 0.177 | 6.402 |
| Rpim | 0.039 | 1.549 |
| Total number of observations | 341575 | 38833 |
| Number of reflections | 16517 | 2372 |
| <I/σ(I)> | 11.5 | 0.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.7 | 16.4 |
| CC(1/2) | 0.999 | 0.482 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 300 | 200 mM Sodium chloride 20% w/v PEG 3350 pH 6.9 |
