Table 1.
Data set | Native | Se-Met |
---|---|---|
Data collection statistics | ||
Space group | R32 | R32 |
Cell dimensions | ||
a, c (Å) | 129.93, 122.49 | 131.05, 122.57 |
Wavelength (Å) | 0.90000 | 0.97887 |
Resolution (Å) | 50.0–2.05 (2.12–2.05) | 54.0–2.32 (2.44–2.32) |
No. of reflections | ||
Observed | 174 011 | 157 273 |
Unique | 24 374 (2255) | 17 032 (1890) |
Completeness (%) | 96.8 (91.1) | 96.2 (74.1) |
Redundancy | 6.9 (6.8) | 9.2 (6.2) |
Rmerge | 7.2 (41.5) | 8.4 (54.5) |
I/σ(I)〉 | 13.7 (4.7) | 5.1 (1.3) |
Refinement statistics | ||
Resolution (Å) | 50.0–2.05 | |
No. of reflections used | ||
Working set/test set | 22 548/1254 | |
Rwork/Rfree (%) | 23.4/26.5 | |
No. of atoms | ||
Protein | 2362 | |
Ion | 3 | |
Water | 100 | |
B-factors | ||
Protein | 51.3 | |
Sub-A | 74.2 | |
EGF | 63.0 | |
Sub-B | 33.1 | |
Ion | 39.0 | |
Water | 41.6 | |
R.m.s.d. from ideality | ||
Bond lengths (Å) | 0.010 | |
Bond angles (deg) | 1.269 |