5UJY
The structure of Mycobacterium tuberculosis topoisomerase I from the 2nd crystal form
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 | 2016-03-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97932 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.573, 64.412, 169.345 |
| Unit cell angles | 90.00, 112.24, 90.00 |
Refinement procedure
| Resolution | 42.258 - 2.700 |
| R-factor | 0.2004 |
| Rwork | 0.198 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d5h |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.501 |
| 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] | 42.258 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.750 |
| Rmerge | 0.141 | 0.843 |
| Rpim | 0.062 | 0.391 |
| Number of reflections | 45105 | 2195 |
| <I/σ(I)> | 14.3 | 1.7 |
| Completeness [%] | 97.7 | 95.7 |
| Redundancy | 5.9 | 5.7 |
| CC(1/2) | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 287 | 0.1 M HEPES:NaCl, 16 % (w/v) PEG 8000, 8 % (v/v) Ethylene glycol |
