Table 2 Data collection and refinement statistics of PYL10 complexes*.
From: Design and Functional Characterization of a Novel Abscisic Acid Analog
PYL10-(+)-iso-PhABA | PYL10-(−)-iso-PhABA | |
|---|---|---|
Data collection | ||
Space group | P31 | P31 |
Cell dimensions | ||
a, b, c (Å) | 68.74, 68.74, 63.87 | 72.02, 72.02, 61.70 |
α, β, γ (˚) | 90, 90, 120 | 90, 90, 120 |
Resolution (Å) | 50.0–2.62 (2.67–2.62)† | 50.0–2.85 (2.90–2.85)† |
Rmerge (%) | 8.1 (63.7) | 10.0 (50.8) |
I/σI | 35.4 (2.2) | 32.9 (2.2) |
Completeness (%) | 98.3 (98.4) | 95.4 (87.2) |
Redundancy | 7.8 (6.7) | 5.5 (3.1) |
Refinement | ||
Resolution (Å) | 50.0–2.65 (2.72–2.65) | 50.0–2.85 (2.92–2.85) |
No. of reflections | 9169 (662) | 7586 (502) |
Rwork/Rfree (%) | 24.6/27.5 (29.5/27.0) | 22.6/26.4 (25.8/27.9) |
No. of atoms | ||
Protein | 1996 | 2025 |
Ligand | 44 | 44 |
Water | 18 | 6 |
B -factors | ||
Protein | 81.85 | 84.78 |
Ligand/ion | 77.07 | 88.8 |
Water | 71.86 | 72.52 |
rms deviations | ||
Bond lengths (Å) | 0.006 | 0.008 |
Bond angles (°) | 0.995 | 1.291 |
Ramachandran Plot (%)2 | 84.7/15.3/0/0 | 86.5/13.5/0/0 |
