2R9L
Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA
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 | 2006-09-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.98400 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.531, 111.788, 139.542 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.124 - 2.400 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iru |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.015 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.160 | 2.400 |
| Rmerge | 0.063 | 0.037 | 0.391 |
| Number of reflections | 29540 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 96.8 | 84.2 | 98.1 |
| Redundancy | 6.8 | 6.3 | 6.5 |
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 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Ammonium chloride | ||
| 2 | 1 | 2 | Ammonium chloride | ||
| 3 | 1 | 1 | MnCl2 | ||
| 4 | 1 | 2 | MnCl2 |
