Table 1. Data collection and refinement statistics.
Crystal statistics | LepB1-618 SeMet | LepBdrancourtii-Rab1 |
---|---|---|
Data collection statistics | ||
Space group | C2221 | P6522 |
Wavelength (Å) | 0.9792 | 0.9792 |
a, b, c, (Å) α, β, γ, (°) | 101.53, 159.42, 181.15, 90, 90, 90 | 95.56, 95.56, 197.72, 90, 90, 120 |
Resolution range (Å)* | 20-3.15 (3.20-3.15) | 20-2.80 (2.85-2.80) |
No. of unique reflections | 25525 (1163) | 14058 (681) |
Completeness (%) | 99.5 (94.7) | 100 (99) |
Redundancy | 13.5 (8.7) | 10.5 (10.7) |
I/σI | 28.87 (2.00) | 17.56 (3.45) |
Rmerge (%) | 12.8 (92.6) | 15.8 (77.2) |
Refinement statistics | ||
Rwork/Rfree (%)† | 26.40/28.30 | 22.91/26.91 |
No. of protein atoms | 6894 | 3625 |
No. of waters | 5 | 4 |
RMSD bond lengths (Å) | 0.010 | 0.016 |
RMSD bond angles (°) | 1.367 | 1.419 |
Ramachandran plot statistics | ||
Most favored regions (%) | 92.60 | 95.94 |
Additional allowed regions (%) | 6.70 | 4.06 |
Outlier region (%) | 0.7 |
*The data for the highest resolution shell are shown in parentheses.
†Rfree is calculated by omitting 5% of the total number of reflections in model refinement.