9KGT
Crystal structure of topoisomerase IV from Klebsiella pneumoniae in complex with DNA and BWC0977, a dual-targeting broad-spectrum novel bacterial topoisomerase inhibitor.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.444, 163.265, 145.842 |
| Unit cell angles | 90.00, 94.55, 90.00 |
Refinement procedure
| Resolution | 46.460 - 3.050 |
| R-factor | 0.2255 |
| Rwork | 0.223 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.550 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.460 | 3.100 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.096 | |
| Rmeas | 1.824 | |
| Number of reflections | 84963 | 29734 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.9 | 98.99 |
| Redundancy | 7.33 | 7.08 |
| CC(1/2) | 0.998 | 0.574 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 17% polyethylene glycol 3350, 0.1M BIS-Tris Propane pH 8.5, 0.1M Sodium bromide |
