TABLE 2.
Wavelength (Å) | 1.5478 |
Resolution range (Å) | 40.85–2.30 (2.40–2.30)a |
Space group | P21 |
a (Å), b (Å), c (Å), β (°) | 46.43, 61.63, 58.58, 111.38 |
Redundancy | 4.76 (2.55) |
Completeness (%) | 95.6 (80.4) |
Rmerge | 0.054 (0.227) |
〈I/σ(I)〉 | 18.2 (3.9) |
CC1/2b | 0.999 (0.934) |
Refinement | |
Resolution range (Å) | 40.85–2.30 |
No. of reflections | 13,255 |
Rwork/Rfreec | 0.163/0.228 |
No. of protein atoms | 2305 |
No. of non-protein atoms | 121 |
〈Biso〉 protein atoms (Å2) | 41.6 |
〈Biso〉 non-protein atoms (Å2) | 34.0 |
σbonds (Å)/σangles (°) | 0.008/1.12 |
Ramachandran plot | |
Favored (%) | 100 |
Outliers (%) | 0 |
a Numbers in parentheses refer to the outer resolution shell.
b Pearson correlation coefficient between merged intensities of two random halves of the diffraction data set (112).
c Free set contained 10% of total observed reflections.