6P0C
Human DNA Ligase 1 Bound to an Adenylated, hydroxyl terminated DNA nick in EDTA
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 | 2015-12-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.235, 101.322, 115.319 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.602 - 1.550 |
| R-factor | 0.1322 |
| Rwork | 0.130 |
| R-free | 0.16530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x9n |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.838 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.110 | 0.063 | 1.932 |
| Rmeas | 0.119 | 0.068 | 2.112 |
| Rpim | 0.045 | 0.025 | 0.837 |
| Total number of observations | 831310 | ||
| Number of reflections | 120809 | 12815 | 10934 |
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 97.9 | 99.5 | 89.6 |
| Redundancy | 6.9 | 7.1 | 6.1 |
| CC(1/2) | 0.996 | 0.496 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 100 mM MES, 100 mM Lithium Acetate, 15% (w/v) PEG 3350 |
