3PKY
Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA, UTP and Manganese.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 41 |
| Unit cell lengths | 145.711, 145.711, 44.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.570 - 3.100 |
| R-factor | 0.1936 |
| Rwork | 0.191 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.297 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.570 | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
| Rmerge | 0.161 | 0.081 | 0.679 |
| Number of reflections | 17593 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 99.4 | 97.1 | 97.5 |
| Redundancy | 5.5 | 4.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 20%(w/v)PEG 3350, 0.2 M Ammonium chloride, 10mM MnCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
