Table 1.
Details of data collection and refinement
| WT RNase A | Y92G | Y92A | Y92L | |
|---|---|---|---|---|
| space group | P3221 | P3221 | P42212 | P3221 |
|
| ||||
| unit (a) | 64.28 | 64.33 | 63.99 | 67.40 |
| cell (b) | 64.28 | 64.33 | 63.99 | 67.40 |
| (Å) (c) | 63.76 | 63.62 | 54.84 | 64.20 |
| γ | 120 | 120 | 90 | 120 |
|
| ||||
| R-merge (%)* | 4.2 (17.3) | 5.3 (36.0) | 6.2 (28.4) | 5.0 (15.3) |
|
| ||||
| % of reflections with I/σ > 2 in the highest resolution bin | 92.6 | 83.5 | 86.4 | 93.1 |
|
| ||||
| resolution limit for refinement | 1.3 | 1.5 | 1.5 | 1.45 |
|
| ||||
| completeness of data used for refinement (%) | 98.3 | 90.6 | 94.9 | 95.7 |
|
| ||||
| R-factor (%) | 20.6 | 21.6 | 21.6 | 19.3 |
|
| ||||
| number of water molecules | 185 | 144 | 181 | 209 |
|
| ||||
| protein B-factor (Å2) | 16.5 | 25.8 | 19.6 | 17.8 |
|
| ||||
| waters B-factor (Å2) | 27.8 | 31.1 | 34.7 | 28.9 |
*
The numbers in parentheses correspond to the data in the highest resolution bin that
were used for refinement.