Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell. Inclusion of the highly redundant data in the native II data set significantly improved the data-set completeness.
| Data set | MafB native I | MafB native II | MafB Hg SAD |
|---|---|---|---|
| Beamline | X13, EMBL/DESY | BM14, ESRF | BM14, ESRF |
| Wavelength (Å) | 0.8068 | 0.9535 | 0.9535 |
| Space group | C2 | P41212 or P43212 | P41212 or P43212 |
| Unit-cell parameters (Å, °) | a = 84.4, b = 106.6, c = 78.6, β = 91.3 | a = b = 94.8, c = 197.9 | a = b = 95.0, c = 200.1 |
| Resolution (Å) | 50–3.1 (3.37–3.10) | 36–3.1 (3.40–3.10) | 48–2.90 (3.06–2.90) |
| No. of unique reflections | 12094 | 14296 | 20968 |
| Mosaicity (°) | 2.0 | 0.6 | 0.5 |
| Redundancy | 2.6 | 7.9 | 5.0 |
| Completeness (%) | 95.4 (96.8) | 99.6 (99.6) | 99.9 (100) |
| Anomalous completeness (%) | N/A | N/A | 99.9 (100) |
| Rsym† (%) | 18.6 (34.2) | 15.3 (35.4) | 8.3 (40.8) |
| Ranom (%) | N/A | N/A | 6.1 (21.8) |
| I/σ(I) | 3.9 (2.2) | 4.6 (2.1) | 7.0 (1.8) |
†
R
sym = 
, where I
j is the observed intensity of an individual reflection and 〈I〉 is the average intensity of that reflection. R
anom is defined in the same way as R
sym except that the summation is over anomalous pairs.