8PA9
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 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 | 2023-02-09 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.597, 46.314, 64.010 |
| Unit cell angles | 90.00, 94.71, 90.00 |
Refinement procedure
| Resolution | 18.451 - 1.500 |
| Rwork | 0.149 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.657 |
| 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] | 18.451 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.062 | 0.503 |
| Rmeas | 0.068 | 0.598 |
| Rpim | 0.028 | 0.315 |
| Number of reflections | 36820 | 1815 |
| <I/σ(I)> | 14.2 | 2.3 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 5.1 | 2.3 |
| CC(1/2) | 0.999 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 281 | 12% w/v PEG4000, 0.1 M sodium cacodylate pH 6.0 |
