2HIX
ATP dependent DNA ligase from S. solfataricus bound to ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 100 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.324, 171.650, 78.686 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.870 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.338 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.860 | 2.860 |
| Rmerge | 0.077 | 0.349 |
| Number of reflections | 18026 | |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 96.4 | 84.5 |
| Redundancy | 3.9 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 6-8% PEG 3350, 50 mM sodium acetate pH 4.5, 30-80 mM sodium/potassium tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
