9FOY
Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.041, 131.703, 96.281 |
| Unit cell angles | 90.00, 97.23, 90.00 |
Refinement procedure
| Resolution | 69.230 - 2.800 |
| R-factor | 0.28059 |
| Rwork | 0.279 |
| R-free | 0.30408 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.148 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.230 | 2.890 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.414 | 1.731 |
| Rmeas | 0.447 | 1.875 |
| Rpim | 0.167 | 0.715 |
| Total number of observations | 355596 | 31268 |
| Number of reflections | 50035 | 4567 |
| <I/σ(I)> | 4.9 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.1 | 6.8 |
| CC(1/2) | 0.959 | 0.414 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | NULL |
