8PAI
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-10 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.675, 46.434, 63.788 |
| Unit cell angles | 90.00, 94.62, 90.00 |
Refinement procedure
| Resolution | 19.041 - 1.800 |
| Rwork | 0.149 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.528 |
| Data reduction software | CrysalisPro (1.171.42.80a) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | MOLREP (11.9.02) |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.041 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.087 | 0.369 |
| Rmeas | 0.096 | 0.435 |
| Rpim | 0.039 | 0.226 |
| Number of reflections | 21127 | 1216 |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.7 | 3.5 |
| CC(1/2) | 0.997 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 281 | 10% w/v PEG4000, 0.1 M sodium cacodylate pH 6.0 |
