Table 2. Crystal information, data collection and refinement statistics.
| Tyrosine | Histidine | 1,3,5-Triphenylbenzene | |||
| Chemical formula | C9H11NO3 | C6H9N3O2 | C24H18 | ||
| CAS number | 60-18-4 | 71-00-1 | 612-71-5 | ||
| Molecular weight | 181.19 | 155.2 | 306.38 | ||
| Crystal system | Orthorhombic | Orthorhombic | Orthorhombic | ||
| Space group | P212121 | P212121 | Pna21 | ||
| a, b, c (Å) | 5.80 (6), 6.92 (6), 21.1 (2) a | 5.175 (11), 7.358 (16), 18.71 (4) | 7.60 (4), 19.68 (11), 11.25 (6) | ||
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | ||
| V (Å3) | 846 (14) | 712 (3) | 1681 (16) | ||
| Z | 4 | 4 | 4 | ||
| Temperature | Ambient | Ambient | Ambient | ||
| Electron energy (keV) | 160 | 160 | 160 | ||
| Wavelength (Å) | 0.02851 | 0.02851 | 0.02851 | ||
| Data collection method | Single scan continuous rotation | Single scan continuous rotation | Single scan continuous rotation | ||
| ϕ range (°) | −70 to 30 | −70 to 36 | −70 to 65 (−47.5 to 37.5 used) | ||
| ϕ increment (°) | 1 | 0.1 | 0.5 | ||
| Exposure time (s/frame) | 0.5 | 0.1 | 1 | ||
| Total time (s) | 50 | 106 | 270 | ||
| Resolution (Å) | 0.9 | 0.8 | 0.99 | ||
| Completeness (%) | 80.4 b | 59.9 c | 89.9 | 62.6 | |
| 86.7 d | |||||
| Independent reflections | 1112 d | 1966 | 1069 | ||
| Parameters | 122 d | 49 | 218 | ||
| Restraints | 246 d | 0 | 307 | ||
| R int (%) | 26.26 d | – e | 5.60 | ||
| L-Histidine | D-Histidine | ||||
| R 1 [I > 2σ(I)] (%) | 14.05 d | 12.17 e | 14.01 e | 9.70 | |
| wR 2 (all data) | 37.68 d | 24.39 e | 28.65 e | 28.05 | |
| Goodness of fit | 1.068 d | 4.2103 e | 4.9466 e | 1.145 | |
Notes: (a) unit-cell parameter based on crystal 1; (b) completeness of data for crystal 1; (c) completeness of data for crystal 2; (d) completeness and statistics of merged data set; (e) statistics of dynamical refinement for L- and D-histidine.