This dataset support the findings of the study titled 'tuning hardness in calcite by incorporation of amino acids'. 1. Supplementary information : this file contains additional experimental details, note, figures and tables to support the findings of the main paper. 2. RP_HPLC_analysis : this file is raw data derived from reverse phase HPLC analysis, which was used to obtain quantity of amino acids incorporated in calcite single crystals. The graph drawn from these data is presented in figure 2 in the main paper. 3. Synchrotron XRD data : these files were obtained from high-resolution powder XRD measurment, which was carried out on the synchrotron beamline(I11) at Diamond Light Source, UK, in order to characterise internal microstructure of aminoacids/calcite crystals. The graphs derived from this data are presented in figure 3 in the main paper. 4. Nanoindentation : this file contains Hardness and modulus raw data obtained from nanoindentation measurement. The graphs drawn from these data are presented in the paper in figure 6. 5. Simulation_inclusion_energy_and_RDF : inclusion energy and RDF calculation presented in figure 5 in the main paper. 6. Simulation contour plot – contour plot showing configurational energies of calcite presented in figure 5 in the main paper.