At 278 K the values are calculated after merging the data from all the crystals listed in Table S1 of the supporting information. The resolution given indicates the value to which data were scaled and merged. The actual data resolution varies between datasets and it typically increases between 0.1 and 0.2 Å between the least and most damaged datasets, except for HEWL 100 K data, where the actual resolution limit is beyond the detector edge for all datasets and could not be determined.
| HEWL 278 K | |||||
|---|---|---|---|---|---|
| Dataset # | 1 | 2 | 3 | 4 | 5 |
| Resolution (Å)† | 35.4–1.20 (1.26–1.20) | 35.39–1.20 (1.26–1.20) | 35.39–1.20 (1.26–1.20) | 35.39–1.20 (1.26–1.20) | 35.40–1.20 (1.26–1.20) |
| R merge † | 0.107 (0.443) | 0.109 (0.519) | 0.110 (0.609) | 0.113 (0.736) | 0.113 (0.941) |
| 〈I〉/〈σI〉† | 10.6 (2.5) | 10.0 (2.2) | 9.8 (1.8) | 9.3 (1.5) | 8.8 (1.2) |
| Completeness (%)† | 93.9 (86.9) | 93.9 (86.8) | 93.9 (86.7) | 93.9 (86.8) | 93.9 (86.7) |
| Multiplicity† | 3.5 (3.1) | 3.5 (3.1) | 3.5 (3.1) | 3.5 (3.0) | 3.5 (3.0) |
| Dataset # | 6 | 7 | 8 | 9 | 10 |
| Resolution (Å)† | 35.4–1.20 (1.26–1.20) | 35.40–1.20 (1.26–1.20) | 35.40–1.20 (1.26–1.20) | 35.40–1.20 (1.26–1.20) | 35.4–1.20 (1.26–1.20) |
| R merge † | 0.117 (1.234) | 0.120 (1.640) | 0.123 (2.113) | 0.126 (2.638) | 0.134 (4.035) |
| 〈I〉/〈σI〉† | 8.2 (1.0) | 7.8 (0.8) | 7.3 (0.6) | 6.7 (0.5) | 6.1 (0.4) |
| Completeness (%)† | 93.9 (86.9) | 93.9 (86.9) | 93.7 (85.9) | 93.8 (86.5) | 93.7 (85.8) |
| Multiplicity† | 3.5 (3.0) | 3.5 (3.0) | 3.5 (3.0) | 3.5 (3.0) | 3.5 (3.0) |