5UHG
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and Rifampin
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 | 2016-04-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.925 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 151.434, 162.147, 194.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.242 - 3.971 |
R-factor | 0.2245 |
Rwork | 0.223 |
R-free | 0.26010 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 4.140 |
High resolution limit [Å] | 4.000 | 8.600 | 4.000 |
Rmerge | 0.243 | 0.145 | 0.801 |
Rmeas | 0.258 | 0.154 | 0.862 |
Rpim | 0.087 | 0.050 | 0.313 |
Total number of observations | 344418 | ||
Number of reflections | 41653 | ||
<I/σ(I)> | 4.6 | ||
Completeness [%] | 99.8 | 99.7 | 99.9 |
Redundancy | 8.3 | 9.1 | 7.4 |
CC(1/2) | 0.987 | 0.490 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 295 | 50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350 |