8PAF
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 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 | 2022-09-26 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.192, 46.550, 64.105 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 18.486 - 2.100 |
| Rwork | 0.136 |
| R-free | 0.18740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.461 |
| 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] | 18.486 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.082 | 0.229 |
| Rmeas | 0.091 | 0.254 |
| Rpim | 0.039 | 0.108 |
| Number of reflections | 13742 | 1116 |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.3 | 5.4 |
| CC(1/2) | 0.998 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 281 | 14% w/v PEG4000, 0.1 M sodium cacodylate pH 6.0 |
