1X9N
Crystal Structure of Human DNA Ligase I bound to 5'-adenylated, nicked DNA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-25 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 63 |
| Unit cell lengths | 161.889, 161.889, 88.455 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.23626 |
| Rwork | 0.235 |
| R-free | 0.26833 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.524 |
| Data reduction software | ACE |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.1.80) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 26365 | |
| <I/σ(I)> | 23.1 | 5 |
| Completeness [%] | 99.1 | 99.9 |
| Redundancy | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | PEG 4000, sodium acetate, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | PEG 4000, sodium acetate, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | PEG 4000, sodium acetate, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | sodium acetate | ||
| 3 | 1 | 1 | H2O | ||
| 4 | 1 | 2 | PEG 4000 | ||
| 5 | 1 | 2 | sodium acetate | ||
| 6 | 1 | 2 | H2O |
