8PA6
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 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 | 2022-09-23 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.845, 46.324, 63.971 |
| Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
| Resolution | 19.101 - 1.580 |
| Rwork | 0.147 |
| R-free | 0.19130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.540 |
| Data reduction software | CrysalisPro (1.171.41.123a) |
| 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] | 19.101 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.074 | 0.661 |
| Rmeas | 0.082 | 0.775 |
| Rpim | 0.035 | 0.396 |
| Number of reflections | 31671 | 1554 |
| <I/σ(I)> | 15.3 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 | 3.6 |
| CC(1/2) | 0.998 | 0.742 |
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 |
