5UJ1
Crystal structure of Mycobacterium tuberculosis Topoisomerase I at 2.15A resolution limit
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 | PIXEL |
| Collection date | 2016-07-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.783, 93.588, 140.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.233 - 2.153 |
| R-factor | 0.1704 |
| Rwork | 0.168 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d5h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.804 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.233 | 2.180 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.094 | 0.800 |
| Rpim | 0.044 | 0.391 |
| Number of reflections | 46076 | 2263 |
| <I/σ(I)> | 17.4 | 1.9 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 5.4 | 4.8 |
| CC(1/2) | 0.734 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M Potassium sodium tartrate, 20% (w/v) PEG3350 |
