Table 1.
Crystallographic and structure refinement statistics for the apo, 3′-UMP-, and 5′-AMP-bound forms of RNase A-A109G.
| Crystal | Apo RNase A-A109G | Complex with 3′-UMP | Complex with 5′-AMP |
|---|---|---|---|
| Data Collection
| |||
| Space group | P21212 | P21212 | P21212 |
| Unit cell parameters (Å) | a = 76.2 | a = 76.5 | a = 76.8 |
| b = 51.4 | b = 51.8 | b = 51.7 | |
| c = 58.2 | c = 57.9 | c = 58.2 | |
| Resolution (Å) | 1.80 | 1.45 | 1.50 |
| Total reflections | 321,513 | 374,299 | 603,029 |
| Unique reflections | 21,146 | 39,580 | 35,341 |
| Rsym (%) | 17.7 (22.7) | 13.3 (74.8) | 14.2 (43.4) |
| Rpim (%) | 13.4 (21.5) | 6.8 (4.5) | 6.8 (22.0) |
| CC1/2 (%) | (88.1) | (50.3) | (87.3) |
| I/σI | 6.3 (2.4) | 11.7 (1.4) | 10.6 (4.1) |
| Completeness (%) | 97.7 (91.0) | 93.1 (56.9) | 94.6 (87.0) |
| Redundancy | 2.2 (1.5) | 4.6 (3.0) | 4.8 (4.5) |
|
| |||
| Structure Refinement
| |||
| Rwork/Rfree (%) | 0.145/0.203 | 0.127/0.170 | 0.151/0.186 |
| Protomers per ASU | 2 | 2 | 2 |
| Amino acids per ASU | 249 | 249 | 249 |
| Ligands per ASU | 0 | 2 | 2 |
| Solvent molecules | 382 | 589 | 425 |
| RMSDs | |||
| Bond lengths (Å) | 0.011 | 0.010 | 0.010 |
| Bond angles (°) | 1.288 | 1.445 | 1.297 |
| Average B factor (Å2) | 18.6 | 19.1 | 17.3 |
| Ramachandran | |||
| Favored/allowed (%) | 98.0/2.0 | 97.7/2.3 | 97.0/3.0 |