Table I. Data collection statistics.
MAD (Se-Met) dGMII |
Native dGMII |
|||||
---|---|---|---|---|---|---|
Inflection | Peak | Remote | High resolution | DMNJ complex | Swainsonine complex | |
Wavelength (Å) | 0.9790 | 0.9786 | 0.9770 | 1.0 | 1.0 | 1.54189 |
Resolution (Å)a | 2.14 | 2.14 | 2.14 | 1.76 | 1.69 | 1.87 |
Highest resolution shell | 2.31–2.14 | 2.31–2.14 | 2.31–2.14 | 1.90–1.76 | 1.75–1.69 | 1.91–1.87 |
Temperature (K) | 100 | 100 | 100 | 100 | 100 | 100 |
No. of unique reflections | ||||||
overall | 59 212 | 59 092 | 59 218 | 104 565 | 114 653 | 87 386 |
shell | 11 288 | 11 297 | 11 296 | 19 882 | 10 722 | 5601 |
Completeness (%) | ||||||
overall | 99.7 | 99.8 | 99.8 | 97.0 | 97.8 | 99.7 |
shell | 96.2 | 96.3 | 96.2 | 94.9 | 92.6 | 96.9 |
Rmergeb | ||||||
overall | 0.050 | 0.054 | 0.057 | 0.056 | 0.086 | 0.078 |
shell | 0.086 | 0.093 | 0.105 | 0.127 | 0.186 | 0.452 |
Correlation of anomalous differences | remote/peak 0.64 | remote/edge 0.59 | peak/edge 0.70 |
aResolution cut-off was determined by the highest resolution shell with completeness >90% and good redundancy. Diffraction data were observed beyond this point.
bRmerge = ΣhΣi|Ii – <I>|/ΣiIi, where <I> is the average of equivalent reflections and the sum is extended over all observations, i, for all unique reflections, h.