4EEQ
Crystal structure of E. faecalis DNA ligase with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.380, 86.460, 57.000 |
Unit cell angles | 90.00, 101.05, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.100 |
R-factor | 0.1919 |
Rwork | 0.184 |
R-free | 0.24470 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 0.779 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 2.100 |
Rmerge | 0.067 |
Number of reflections | 25305 |
Completeness [%] | 81.0 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.6M Ammonium sulfate, 0.1M Na cacodelate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |