Table III. Data collection and phasing statistics.
| Native | Erλ1 | Erλ2 | Erλ3 | A221V | |
|---|---|---|---|---|---|
| Data collectiona | |||||
| Space group | C2221 | C2221 | P21 | ||
| Cell constants (Å) | a = 60.6 | a = 56.8 | a = 58.2 | ||
| b = 107.5 | b = 106.5 | b = 255.7 β = 118.2° | |||
| c = 256.6 | c = 256.6 | c = 60.4 | |||
| Resolution range (Å) | 30.0–2.50 | 30.0–2.50 | 30.0–2.04 | ||
| Wavelength (Å) | 1.5418 | 1.4834 | 1.4840 | 1.1000 | 1.1000 |
| Observed reflections | 94 388 | 189 030 | 95 680 | 87 407 | 187 495 |
| Unique reflections | 24 839 | 25 204 | 23 902 | 22 321 | 96 350 |
| Whole range | |||||
| completeness (%) | 94.9 | 96.3 | 91.3 | 85.3 | 99.4 |
| Rmergeb | 8.3 | 5.2 | 4.4 | 4.3 | 4.0 |
| Iσ(I) | 11.4 | 28.7 | 21.1 | 27.9 | 20.8 |
| Last shell | |||||
| resolution range (Å) | 2.55–2.5 | 2.55–2.5 | 2.55–2.5 | 2.55–2.5 | 2.07–2.04 |
| completeness (%) | 88.7 | 92.4 | 90.5 | 83.3 | 99.2 |
| Rmerge | 30.3 | 25.7 | 22.3 | 22.0 | 26.9 |
| Iσ(I) | 3.3 | 7.1 | 5.0 | 7.3 | 4.3 |
| Phasing (15.0–2.5Å) | |||||
| phasing power (iso) | 0.80 | – | 0.87 | ||
| phasing power (ano) | 0.98 | 0.90 | 0.66 | ||
| Rcullis (iso)c | 0.87 | – | 0.80 | ||
| Rcullis (ano) | 0.74 | 0.80 | 0.81 | ||
| Figure of merit (before/after solvent flattening) | 0.444/0.786 |
aThe data for the native crystals were obtained at 298 K in-house, while those for the heavy atom derivatives and A221V mutant form were cryo collected (100 K) at BW6, DESY, Hamburg, Germany.
bRmerge = Σ∣I – <I>∣/ΣI.
cRcullis = <phase integrated lack of closure>/∣FPH – FP∣