Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| AvrM-A | SeMet AvrM-A | avrM | |
|---|---|---|---|
| Space group | C2221 | C2221 | P212121 |
| Unit-cell parameters (Å) | |||
| a | 116.8 | 116.4 | 88.5 |
| b | 131.2 | 133.7 | 125.7 |
| c | 280.3 | 281.5 | 128.9 |
| Molecules per asymmetric unit | 8 | 8 | 4 |
| Resolution range (Å) | 30–3.0 (3.16–3.00) | 93.8–3.5 (3.69–3.50) | 19.9–2.7 (2.85–2.70) |
| No. of unique observations | 43446 | 28160 | 40138 |
| Completeness (%) | 99.9 (99.9) | 100.0 (100.0) | 99.7 (100.0) |
| Multiplicity | 6.0 (6.1) | 14.9 (15.0) | 7.3 (7.4) |
| Rmerge† (%) | 10.2 (85.7) | 19.0 (74.0) | 8.5 (76.6) |
| Average I/σ(I) | 13.1 (2.3) | 13.1 (4.4) | 15.0 (2.7) |
†
R
merge = 
, where Ii(hkl) is the intensity of an individual measurement of the reflection with Miller indices hkl and 〈I
hkl〉 is the mean intensity of that reflection. Calculated for I > −3σ(I).