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 |