6P0D
Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, hydroxyl terminated DNA nick
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 | 2017-03-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.793, 101.227, 115.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.276 - 1.750 |
| R-factor | 0.1605 |
| Rwork | 0.160 |
| R-free | 0.17870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x9n |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.706 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.104 | 0.064 | 1.016 |
| Rmeas | 0.114 | 0.072 | 1.201 |
| Rpim | 0.047 | 0.032 | 0.626 |
| Total number of observations | 510358 | ||
| Number of reflections | 86232 | 8948 | 8077 |
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 99.2 | 98.4 | 93.9 |
| Redundancy | 5.9 | 5.3 | 3.4 |
| CC(1/2) | 0.989 | 0.408 |
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 |
