Significant uncertainties remain regarding the assessment of the peak shear strength of rock joints. In recent years, Particle Flow Code (PFC) has been used to simulate shear tests of rock joints. Although previous studies showed PFC's capability to simulate rock joint shear behaviour, it is uncertain how different parameters in PFC should be combined to realistically capture roughness and strength of asperities in contact of actual rock joints. Under low normal stresses, the shear behaviour of well-mated hard crystalline joints is governed by the interaction between asperities of some tenths of a millimetre. This paper investigates the capability of PFC2D to realistically simulate the peak shear strength of hard crystalline rock joints under different constant normal stress magnitudes. The simulated two-dimensional profiles were selected from the digitised joint surface obtained with optical scanning measurements. To realistically capture surface roughness and asperity strength in PFC2D, different values of joint segment length, particle resolution per segment, and bond strength between particles were studied and calibrated while taking into account the laboratory observations. The results of the numerical simulations in the PFC2D environment show that the simulated peak shear strength using the profile containing the steepest asperity is in good agreement with that measured in the laboratory. The joint profile needs to be represented by both a magnitude of segment length that captures the grain size, and at least two particles per segment. The bond strength calibration needs to account for both asperity size and the number of particles in contact during shearing.