Table 2. Experimental conditions and diffraction data statistics of lysozyme crystals.
Values in parentheses are for the highest resolution shell. The maximum resolution of each data set was determined as that where the CC1/2 (Karplus & Diederichs, 2012 ▶) was around 0.8 in the highest resolution shell. The values of CC1/2 were calculated with the PHENIX package (Adams et al., 2010 ▶).
| Optimized humidity (% RH) | 74.3 | 79.5 | 82.7 | 87.3 | 88.6 |
|---|---|---|---|---|---|
| Unit-cell parameters (Å) | |||||
| a | 78.39 | 78.27 | 78.38 | 78.39 | 78.49 |
| c | 37.26 | 37.22 | 37.10 | 37.17 | 37.17 |
| Mosaicity before/after cryocooling (°) | 0.23/0.43 | 0.081/0.46 | 0.14/0.34 | 0.12/0.55 | 0.19/0.66 |
| Resolution (Å) | 50.00–1.18 (1.20–1.18) | 50.00–1.19 (1.21–1.19) | 50.00–1.13 (1.15–1.13) | 50.00–1.15 (1.17–1.15) | 50.00–1.15 (1.17–1.15) |
| Multiplicity | 6.3 (3.5) | 6.6 (6.5) | 6.9 (6.8) | 6.6 (6.5) | 6.8 (6.6) |
| Completeness (%) | 97.0(75.9) | 99.7 (100.0) | 99.9 (99.8) | 99.9 (99.8) | 98.7 (99.6) |
| R merge † (%) | 4.6 (49.5) | 4.5 (67.1) | 4.6 (65.9) | 5.1 (65.8) | 6.0 (81.5) |
| Average I/σ(I) | 24.1 (2.8) | 19.5 (2.6) | 20.9 (2.7) | 19.3 (2.6) | 18.0 (2.3) |
| CC1/2 | 0.999 (0.814) | 0.999 (0.806) | 0.999 (0.796) | 0.999 (0.810) | 0.999 (0.807) |
†
R
merge = 
, where Ii(hkl) is the observed intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the mean intensity of reflection hkl calculated after scaling.