Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Crystal | A | A | B | C | D |
|---|---|---|---|---|---|
| Data set | A1 | A2 | B1 | C1 | D1 |
| PDB code | 3u3p | 3u3q | 3u3s | 3u3v | 3u3t |
| X-ray source | 17A | 17A | 17A | 1A | 1A |
| Crystal-to-detector distance (mm) | 310 | 160 | 160 | 91 | 91 |
| No. of images | 360 | 360 | 360 | 248 | 281 |
| Oscillation width () | 0.5 | 1 | 1 | 1 | 0.75 |
| Wavelength () | 0.98 | 2.00 | 2.00 | 2.70 | 2.70 |
| Space group | P6122 | P6122 | P6122 | P6122 | P6122 |
| Unit-cell parameters () | |||||
| a | 77.86 | 77.91 | 77.68 | 77.56 | 77.47 |
| c | 186.56 | 186.42 | 186.81 | 187.41 | 185.81 |
| Mosaicity () | 0.32 | 0.48 | 0.22 | 0.38 | 0.65 |
| No. of molecules in asymmetric unit | 1 | 1 | 1 | 1 | 1 |
| Resolution range () | 50.002.09 (2.162.09) | 50.002.70 (2.822.70) | 50.002.70 (2.822.70) | 50.002.95 (3.082.95) | 50.003.20 (3.343.20) |
| R merge (%) | 6.4 (25.5) | 7.5 (37.3) | 9.7 (38.0) | 11.4 (42.4) | 10.4 (36.4) |
| Mean I/(I) | 79.09 (15.79) | 80.782 (21.0) | 73.15 (14.9) | 60.70 (12.76) | 54.10 (12.47) |
| Completeness (%) | 99.9 (100.0) | 99.9 (99.9) | 99.9 (99.7) | 99.8 (99.8) | 99.8 (99.9) |
| Multiplicity | 20.4 | 39.1 | 39.3 | 25.3 | 20.1 |
| Refinement | |||||
| Resolution () | 38.112.09 | 50.002.70 | 50.002.70 | 50.002.96 | 50.003.21 |
| No. of reflections | 19478 | 9338 | 9308 | 7227 | 5655 |
| R work/R free (%) | 22.53/27.05 | 19.51/23.54 | 19.65/26.01 | 19.24/25.70 | 20.79/26.08 |
| No. of atoms | 1375 | 1375 | 1375 | 1375 | 1233 |
| No. of protein atoms | 1233 | 1233 | 1233 | 1233 | 1233 |
| No. of waters | 142 | 142 | 142 | 142 | 0 |
| Wilson B (2) | 30.1 | 65.9 | 62.4 | 89.7 | 102.9 |
| Mean B (2) | 35.3 | 44.3 | 41.0 | 51.0 | 57.4 |
| R.m.s. deviations | |||||
| Bond lengths () | 0.023 | 0.020 | 0.017 | 0.017 | 0.015 |
| Bond angles () | 2.4 | 2.1 | 2.0 | 2.0 | 1.9 |
| Ramachandran analysis (%) | |||||
| Favoured region | 93.2 | 93.2 | 93.8 | 91.9 | 91.3 |
| Allowed region | 4.97 | 3.73 | 3.73 | 6.83 | 5.59 |
| Outliers | 1.86 | 3.10 | 2.48 | 1.24 | 3.11 |