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 |