5UHF
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336
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) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 152.374, 163.460, 197.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.504 - 4.345 |
R-factor | 0.2025 |
Rwork | 0.198 |
R-free | 0.26700 |
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 | 4.510 |
High resolution limit [Å] | 4.350 | 9.350 | 4.350 |
Rmerge | 0.203 | 0.118 | |
Rmeas | 0.212 | 0.123 | |
Rpim | 0.065 | 0.034 | 0.428 |
Total number of observations | 395911 | ||
Number of reflections | 44904 | ||
<I/σ(I)> | 4.8 | ||
Completeness [%] | 99.0 | 99.5 | 92.8 |
Redundancy | 12.1 | 12.6 | 8.5 |
CC(1/2) | 0.993 | 0.632 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 295 | 50 mM Tris-HCl, pH 8.4, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350 |