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 |
