8VZM
DNA Ligase 1 captured with pre-step 3 ligation at the rA:T nicksite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.844, 115.961, 123.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.060 - 2.510 |
| R-factor | 0.1828 |
| Rwork | 0.179 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.542 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.060 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rpim | 0.040 | |
| Number of reflections | 32094 | 1562 |
| <I/σ(I)> | 27.3 | 1.56 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 6.1 | |
| CC(1/2) | 0.993 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298.1 | 100 mM MES (pH 6.7), 100 mM lithium acetate, 16% (w/v) PEG3350 |
