6P0B
Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+
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 | 2018-02-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.866, 101.398, 115.606 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.428 - 2.203 |
| R-factor | 0.1717 |
| Rwork | 0.170 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x9n |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.730 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.107 | 0.040 | 1.245 |
| Rmeas | 0.119 | 0.045 | 1.381 |
| Rpim | 0.051 | 0.019 | 0.591 |
| Total number of observations | 227628 | ||
| Number of reflections | 43118 | 4543 | 4245 |
| <I/σ(I)> | 6.2 | ||
| Completeness [%] | 99.6 | 98.9 | 99.7 |
| Redundancy | 5.3 | 5.1 | 5.4 |
| CC(1/2) | 0.999 | 0.522 |
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 |
