1DGS
CRYSTAL STRUCTURE OF NAD+-DEPENDENT DNA LIGASE FROM T. FILIFORMIS
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-03-01 |
| Detector | BRANDEIS |
| Wavelength(s) | 0.9400, 0.9784, 0.9788 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.210, 117.330, 97.480 |
| Unit cell angles | 90.00, 115.09, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.228 * |
| Rwork | 0.228 |
| R-free | 0.29800 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.070 | 0.463 |
| Total number of observations | 215788 * | |
| Number of reflections | 40641 | |
| <I/σ(I)> | 9.8 | 4 |
| Completeness [%] | 97.9 | 79.2 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.6 | pH 5.6, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 2 | 1 | reservoir | MPEG5000 | 5 (%) | |
| 3 | 1 | reservoir | 5 (mM) |
