Table 1 Data collection, processing and refinement statistics.
Native data | Deriv. data | |
|---|---|---|
Data collectiona | ||
Beamline | P13, PETRA III (DESY, Germany) | P14, PETRA III (DESY, Germany) |
Wavelength (Å) | 1.0332 | 1.072 |
Space group | P21 | P21 |
Unit-cell parameters | ||
a (Å) | 53.61 | 55.20 |
b (Å) | 90.78 | 90.90 |
c (Å) | 75.38 | 74.80 |
α = γ (°) | 90 | 90 |
β (°) | 92.0 | 90.8 |
Resolution range (Å) | 75.33–1.3 (1.33–1.3) | 55.29–2.00 (2.1–2.0) |
Completeness (%) | 97.9 (96.1) | 98.2 (94.5) |
Rmerge (%) | 4.0 (123) | 11.5 (89.8) |
Multiplicity | 6.9 (7.0) | 6.9 (6.6) |
〈 I/σ(I)〉 | 19.9 (2.0) | 12.7 (2.7) |
Refinement | ||
Resolution range (Å) | 75.3–1.3 | |
No of reflections used for refinement | 164,237 | |
Rwork/Rfree (%) | 17.8/19.8 | |
No. of atoms | ||
Protein | 5483 | |
Water | 314 | |
Average B value (Å2) | 23.6 | |
R.m.s.d | ||
Bonds (Å) | 0.03 | |
Angles (°) | 2.86 | |
Ramachandran plot | ||
Favoured regions (%) | 98.4 | |
Allowed regions (%) | 1.6 | |
Disallowed region (%) | 0 | |
