6CQ2
Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with oligonucleotide MTS2-12 and Magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.625, 44.683, 128.866 |
| Unit cell angles | 90.00, 90.61, 90.00 |
Refinement procedure
| Resolution | 37.279 - 3.004 |
| R-factor | 0.1916 |
| Rwork | 0.189 |
| R-free | 0.24900 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.418 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.500 | 3.070 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.132 | 0.816 |
| Rmeas | 0.161 | |
| Rpim | 0.091 | 0.565 |
| Number of reflections | 15372 | 967 |
| <I/σ(I)> | 9.2 | 1.1 |
| Completeness [%] | 97.4 | 93.3 |
| Redundancy | 4.6 | 2.9 |
| CC(1/2) | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1M Sodium Acetate, 0.1 M MES NaOH, 30% (w/v) PEG 2000 MME |
