Table 1.
X-ray data processing and refinement statistics
| A. Data collection | |
| Data set | Mimi CypA |
| Beamline | BNL–X6A |
| Space group | P213 |
| Unit cell parameters | |
| a, b, c (Å2) | 95.03, 95.03, 95.03 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 1.00 |
| Resolution (Å)a | 50.00−2.04 (2.11–2.04) |
| Total no. of reflections | 236,803 |
| Unique reflectionsa | 18,528 (1836) |
| Average redundancya | 12.8 (10.2) |
| Completeness (%)a | 100.0 (100.0) |
| Rmergea,b | 0.067 (0.712) |
| <I>/<σ(I)>a | 39.5 (3.3) |
| B. Refinement | |
| Unique reflections | 18,528 |
| No. of residues | 195 |
| No. of water molecules | 77 |
| Rfactor (Rfree) (%)c | 21.4 (25.5) |
| Average B-factor (Å2) | 35.8 |
| RMS deviations | |
| Bonds (Å) | 0.015 |
| Angles (°) | 1.489 |
| C. Ramachandran plot | |
| Most favored (%) | 88.9 |
| Additionally allowed (%) | 11.1 |
| Generously allowed (%) | 0 |
| Disallowed (%) | 0 |
a
Values for the highest resolution shell are indicated in parentheses.
b
Rmerge=Σ| Iobs−Iave| /ΣIobs.
c
Rfactor=Σ‖Fobs|−|Fcalc‖/Σ|Fobs.