Table 1. X-ray data collection and refinement statistics.
Numbers in parentheses are for the highest resolution shell.
Parameter | Value |
---|---|
Antagonist | AVPIAQKSE |
Resolution (Å) | 50–1.7 (1.77–1.71) |
Unique reflections | 31742 (2793) |
Rsym* | 0.115 (0.664) |
I/σ(I) | 21.4 (2.2) |
Redundancy | 12.0 (7.2) |
Rcryst† | 0.213 |
Rfree‡ | 0.250 |
Bond RMSD (Å) | 0.011 |
Angle RMSD (°) | 1.2 |
* Rsym=Σ|I−〈I〉|/ΣI.
† Rcryst=Σ||Fobs|−|Fcalc||/Σ|Fobs|.
‡ Rfree=Rcryst for a random 5% of reflections.