6P0E
Human DNA Ligase 1 (E346A,E592A) bound to adenylated DNA containing an 8-oxo guanine:adenine base-pair
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 | 2017-03-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.676, 100.939, 115.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.266 - 1.850 |
| R-factor | 0.1562 |
| Rwork | 0.155 |
| R-free | 0.18380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x9n |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.858 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.104 | 0.067 | 1.406 |
| Rmeas | 0.112 | 0.072 | 1.529 |
| Rpim | 0.041 | 0.026 | 0.592 |
| Total number of observations | 534920 | ||
| Number of reflections | 71710 | 7521 | 7098 |
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 7.5 | 7.3 | 6.4 |
| CC(1/2) | 0.995 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM MES, 100 mM Lithium Acetate, 15% (w/v) PEG 3350 |
