9L8H
The structure of HitB-HitD complex with a C4 pantetheine cross-linking probe
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.867, 92.593, 74.072 |
| Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
| Resolution | 46.340 - 1.850 |
| R-factor | 0.1895 |
| Rwork | 0.188 |
| R-free | 0.22282 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.116 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.040 | 0.392 |
| Number of reflections | 49388 | 2641 |
| <I/σ(I)> | 20.1 | 2.4 |
| Completeness [%] | 98.2 | |
| Redundancy | 3 | |
| CC(1/2) | 0.999 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Tris-HCl, sodium acetate, PEG 4000, PEG 400 |
