Table 1. Data collection and refinement statistics.
Data collection | ||
Data set | SAD | Native |
Beamline | SLS PXIII | SLS PXII |
Space group | P212121 | P212121 |
Unit cell parameters (Å) | a = 61.6, b = 80.0, c = 124.1 | a = 62.1, b = 80.7, c = 124.7 |
Wavelength (Å) | 0.98 | 0.99 |
Resolution Range (Å) a | 49.0–3.3 (3.5–3.3) | 49.3–2.1 (2.2–2.1) |
Unique reflections | 9829 | 37 397 |
Multiplicity | 38.7 | 6.4 |
Completeness (%) a | 99.8 (98.9) | 100.0 (99.8) |
I/σ(I) a | 21.2 (5.6) | 13.8 (2.9) |
Rsym (%)a | 21.8 (85.5) | 6.0 (57.3) |
![]() |
0.99 (0.95) | 0.99 (0.65) |
Refinement | ||
Resolution Range | 49.3–2.1 | |
Rfree (%) | 23.7 | |
Rwork (%) | 20.6 | |
r.m.s.d. bond (Å) | 0.008 | |
r.m.s.d. angle (º) | 1.08 | |
B-factor protein (Å2) | 48.0 | |
Ramachandran values b | ||
Favored (%) | 98.0 | |
Allowed (%) | 2.0 | |
Outliers (%) | 0 |
aParantheses indicate values in outermost shell.
bValues were calculated using the program Molprobity (55).