Table 1. X-ray diffraction data and refinement statistics.
Values in parentheses are for the outermost resolution shell.
Wavelength (Å) | 0.9794 |
Resolution (Å) | 15–2.3 (2.37–2.30) |
Space group | P21212 |
Unit-cell parameters (Å) | a = 131.45, b = 137.15, c = 58.25 |
Redundancy | 9.1 (6.7) |
Unique reflections | 48553 (4872) |
Completeness (%) | 96.7 (90.1) |
〈I/σ(I)〉 | 20.3 (4.7) |
Rsym† | 0.091 (0.330) |
Rcryst‡ | 0.21 (0.23) |
Rfree (5% data) | 0.28 (0.30) |
No. of protein atoms per AU | 8,147 |
R.m.s.d. bonds (Å) | 0.016 |
R.m.s.d. angles (°) | 1.459 |
Average B (all atoms) (Å2) | 27.6 |
Solvent molecules (sulfate/water) | 17/120 |
Ramachandran plot statistics | |
Favored regions (%) | 92.4 |
Additional allowed regions (%) | 7.6 |
R
sym =
.
R
cryst =
.