Table 1.
Statistics and Analysis for MicroED Data Collected under Different Preparation Conditions
| Parameters | Polished and Uncoated | Unpolished and Coated | Polished and Coated | ||||||
|---|---|---|---|---|---|---|---|---|---|
| Data Collection | |||||||||
| Crystal # | 2 | 5 | 7 | 8 | 9 | 12 | 10 | 11 | 13 |
| Accelerating voltage (kV) | 200 | ||||||||
| Electron source | field-emission gun | ||||||||
| Total exposure (e−Å−2) | 3 | ||||||||
| Wavelength (Å) | 0.0251 | ||||||||
| No. of crystals | 1 | ||||||||
| Microscope | Thermo Fisher Talos Arctica | ||||||||
| Camera | CetaD | ||||||||
| Rotation rate (° s−1) | 0.2 | ||||||||
| Data Analysis | |||||||||
| Resolution range (Å) | 35.25–2.17 (2.248–2.17) | 41.63–2.176 (2.254–2.18) | 43.47–2.59 (2.683–2.59) | 35.41–2.17 (2.248–2.17) | 30.23–2.08 (2.154–2.08) | 33.66–2.07 (2.144–2.07) | 28.39–1.91 (1.978–1.91) | 30.07–1.85 (1.916–1.85) | 33.54–1.79 (1.854–1.79) |
| Unit cell | |||||||||
| (a = b, c) (Å) | 67.3, 104.9 | 67.6, 105.7 | 67.5, 105.2 | 67.5, 105.6 | 67.6, 104.5 | 67.3, 105.1 | 67.5, 105.9 | 67.2, 107.0 | 67.1, 107.0 |
| (α = β = γ) (°) | 90 | 90 | 90 | 90 | 90 | 90 | 90 | 90 | 90 |
| Space group | P 43 21 2 | ||||||||
| Total reflections | 63,495 (6,293) | 63,830 (6,496) | 34,844 (3,727) | 61,959 (6,373) | 70,454 (7,196) | 60,628 (5,059) | 88,818 (9,016) | 99,035 (10,382) | 100,799 (8,463) |
| Multiplicity | 6.3 (6.4) | 4.8 (5.0) | 4.7 (5.0) | 5.3 (5.6) | 5.1 (5.3) | 6.9 (5.9) | 5.0(5.2) | 5.9 (6.3) | 6.8 (5.8) |
| Completeness (%) | 71.26 | 94.46 | 92.89 | 84.79 | 90.80 | 57.59 | 90.41 | 76.93 | 62.36 |
| Mean I/σI | 3.38 (0.51) | 2.68(0.51) | 2.49 (0.89) | 3.37(0.81) | 3.65 (0.75) | 4.04 (0.93) | 4.16(0.60) | 4.87 (1.00) | 5.95 (0.72) |
| Wilson B factor (Å2) | 32.5 | 32.46 | 25.8 | 30.08 | 29.74 | 33.21 | 26.74 | 24.47 | 25.71 |
| Rpim | 0.167 | 0.222 | 0.275 | 0.167 | 0.156 | 0.109 | 0.128 | 0.107 | 0.078 |
| CC1/2 | 0.966 | 0.956 | 0.898 | 0.956 | 0.973 | 0.975 | 0.984 | 0.987 | 0.991 |
| Rwork | 0.220 | 0.223 | 0.256 | 0.229 | 0.223 | 0.216 | 0.197 | 0.198 | 0.198 |
| Rfree | 0.265 | 0.265 | 0.310 | 0.284 | 0.258 | 0.269 | 0.234 | 0.234 | 0.236 |