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 |