6Y2I
Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-yl)butane-1-sulfonamide
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.917 |
Spacegroup name | P 31 |
Unit cell lengths | 75.314, 75.314, 149.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.224 - 1.533 |
Rwork | 0.122 |
R-free | 0.13570 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.003 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.610 | 2.380 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.040 | 0.389 |
Number of reflections | 141366 | 22883 |
<I/σ(I)> | 16.8 | 2.8 |
Completeness [%] | 99.4 | |
Redundancy | 4.2 | |
CC(1/2) | 0.999 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 16% w/v PEG3350, 0.2M sodium citrate, 1.5mM TCEP |