Table 1.
Crystal Structures of CA Mutants P207S, G208R, T210K
| P207S | G208R | T210K | |
|---|---|---|---|
| PDB | 6MQA | 6MQO | 6MQP |
| Data Collection | |||
| Space group | P6 | P6 | P6 |
| Cell dimensions | |||
| a, b, c (Å) | 90.34, 90.34, 57.62 | 92.01, 92.01, 57.19 | 92.04, 92.04, 57.35 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Molecules/ASU | 1 | 1 | 1 |
| Resolution (Å) | 3.20 (3.39–3.20) | 3.00 (3.18–3.00) | 3.30 (3.49–3.30) |
| Rmerge | 12.8 | 10.4 | 13.9 |
| I/σ | 6.6 (1.4) | 10.7 (2.7) | 7.6 (1.7) |
| Completeness (%) | 98.9 (99.1) | 98.3 (97.3) | 99.3 (99.4) |
| Redundancy | 2.6 | 3.1 | 3.5 |
| Unique reflections | 8,591 (1,377) | 8,809 (1,407) | 8,116 (1,320) |
| Refinement | |||
| No. of non-hydrogen atoms | 1,666 | 1,693 | 1,644 |
| Rwork/Rfree (%) | 18.6/21.9 | 20.6/27.1 | 20.7/24.0 |
| Average B factor | 73.6 | 76.0 | 87.6 |
| Root-mean-square deviation | |||
| Bond lengths (Å) | 0.005 | 0.017 | 0.01 |
| Bond angles (°) | 1.0 | 1.8 | 1.1 |
| Ramachandran analysis (%) | |||
| Preferred regions | 97.14 | 97.64 | 98.11 |
| Allowed regions | 2.86 | 2.36 | 1.42 |
| Outliers | 0 | 0 | 0.47 |
Data collection and refinement statistics for CAP207S, CAG208R, CAT210K. Values shown in parentheses are for highest-resolution shell.