Table 1. Data-collection statistics.
Values in parentheses are for the outer shell.
| Pin1 WW with malate (4gwt) | Pin1 WW with citrate (4gwv) | |
|---|---|---|
| Temperature (K) | 298 | 298 |
| Source | Bruker AXS | Bruker AXS |
| Detector | SMART6000 | SMART6000 |
| Wavelength () | 1.5418 | 1.5418 |
| Resolution range | 33.322.25 (2.292.25) | 34.253.05 (3.163.05) |
| Unique reflections | 4031 (190) | 1615 (154) |
| Completeness (%) | 100.0 (100.0) | 98.2 (96.4) |
| R merge † | 0.069 (0.290) | 0.129 (0.356) |
| I/(I) | 23.6 (6.1) | 7.2 (3.6) |
| Multiplicity | 13.3 (9.1) | 4.0 (4.0) |
| Wilson B factor (2) | 41.6 | 75.3 |
| Space group | I41/a | I41/a |
| Unit-cell parameters (, ) | a = b = 66.0, c = 38.6, = = = 90 | a = b = 64.6, c = 40.4, = = = 90 |
| Water content (%) | 52 | 52 |