Table 1. Processing and refinement statistics for the first and last thaumatin data set at each temperature.
25 K | 100 K | 180 K | 240 K | 300 K | ||||||
---|---|---|---|---|---|---|---|---|---|---|
Data set | First | Last | First | Last | First | Last | First | Last | First | Last |
PDB code | 4ek0 | 4eka | 4ekb | 4ekh | 4eko | 4ekt | 4el2 | 4el3 | 4el7 | 4ela |
Resolution (Å) | 1.52 | 1.55 | 1.52 | 1.75 | 1.52 | 1.75 | 1.52 | 1.95 | 1.52 | 2.00 |
Unit-cell parameters (Å) | ||||||||||
a = b | 57.130 | 57.350 | 57.390 | 57.510 | 57.770 | 57.900 | 58.270 | 58.320 | 58.370 | 58.330 |
c | 150.30 | 150.78 | 149.74 | 149.90 | 149.94 | 150.07 | 150.72 | 150.75 | 151.27 | 151.30 |
〈I〉 | 3092.1 | 2074.8 | 1909.7 | 1232.8 | 657.4 | 409.0 | 373.2 | 131.6 | 254.7 | 106.6 |
〈I〉/〈σ(I)〉 | 37.66 | 31.67 | 33.68 | 27.09 | 26.29 | 21.87 | 22.89 | 13.70 | 20.37 | 12.84 |
Reflections | 38888 | 37321 | 39378 | 26246 | 39290 | 26034 | 38012 | 18682 | 35453 | 17277 |
R merge (%) | 8.4 | 8.8 | 8.5 | 11 | 7.5 | 8.8 | 7.8 | 9.9 | 8.2 | 13 |
Wilson B (Å2) | 15.39 | 22.39 | 16.67 | 24.93 | 16.00 | 23.20 | 18.44 | 25.29 | 18.34 | 26.93 |
Mean B (Å2) | 19.16 | 26.04 | 20.22 | 27.53 | 19.17 | 26.39 | 23.28 | 29.94 | 24.06 | 31.95 |
R/R free (%) | 18.4/20.1 | 19.1/20.0 | 17.5/19.3 | 18.1/21.1 | 17.0/18.8 | 17.5/20.1 | 16.2/19.2 | 16.2/20.2 | 16.3/18.0 | 16.3/19.2 |
Mosaicity (°) | 0.232 | 0.442 | 0.194 | 0.433 | 0.190 | 0.269 | 0.057 | 0.147 | 0.041 | 0.163 |