6CCE
Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Kanglemycin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.91806 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 130.564, 161.583, 135.141 |
Unit cell angles | 90.00, 110.73, 90.00 |
Refinement procedure
Resolution | 49.549 - 3.050 |
R-factor | 0.235 |
Rwork | 0.234 |
R-free | 0.26530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tw1 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.485 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.160 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 0.143 | 2.227 |
Rmeas | 0.157 | 2.462 |
Rpim | 0.064 | 1.032 |
Number of reflections | 99721 | |
<I/σ(I)> | 8.42 | |
Completeness [%] | 99.8 | |
Redundancy | 5.7 | |
CC(1/2) | 0.998 | 0.310 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 0.1 M Bis-Tris, pH 6.0, 0.2 M LiSO4, 16% (w/v) polyetheylene glycol 3350, 2.5% (v/v) ethylene glycol |