Table 1. Data collection and refinement statistics of CrSPI-1-D1.
| Experiment | |
| Cell parameters (Å, °) | a = 25.5, b = 37.2, c = 36.5, α = 90, β = 99.8, γ = 90 |
| Space group | P21 |
| Data collection a | |
| Resolution range (Å) | 50.0-2.0 (2.07-2.00) |
| Observed Reflections | 28,930 |
| Unique Reflections | 4,535 |
| Redundancy | 6.4 (3.2) |
| Completeness (%) | 97.3 (80.7) |
| Overall (I/σI) | 31.3 |
| Rsymb | 0.046 (0.061) |
| Refinement | |
| Resolution range (Å) | 20.0-2.0 |
| Number of Reflections used | 4432 |
| R factorc/Rfree d (%) | 21.47/25.56 |
| RMSD bond lengths (Å) | 0.009 |
| RMSD bond angles (°) | 1.660 |
| Average B-factors (Å2) | 18.046 |
| Main chain (# atoms) | 16.045 (312) |
| Side chain (# atoms) | 18.394 (264) |
| Water (# atoms) | 27.559 (56) |
| Ramachandran Plot | |
| Most favored region (%) | 93.4 |
| Additional allowed regions (%) | 4.9 |
| Generously allowed regions (%) | 1.6 |
| Disallowed regions (%) | 0.0 |
a
Numbers in parentheses refer to the highest resolution shell.
b
Rsym = Σ|Ii – <Ii>|/Σ| Ii|.
c
Rfactor = Σ||Fobs| − |Fcalc||/Σ|Fobs|.
d
Rfree equals the R factor against 5.9% of the data removed prior to refinement.