Table 1 Data collection and refinement statistics.
From: A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging
PSMA/Glu-490 | |
|---|---|
Data collection | |
Space group | I222 |
Cell dimensions | |
a, b, c (Å) | 101.54, 130.10, 158.91 |
α, β, γ (°) | 90, 90, 90 |
Resolution (Å) | 50–1.73 (1.83–1.73)a |
Rmerge | 0.062 (0.564) |
I / σI | 14.43 (1.99) |
Completeness (%) | 99.6 (98.9) |
Redundancy | 4.5 (4.2) |
Refinement | |
Resolution (Å) | 46.96–1.73 (1.77–1.73) |
No. reflections | 106,994 (7848) |
Rwork / Rfree | 16.3/18.3 (28.4/28.0) |
No. atoms | 6622 |
Protein | 5836 |
Ligand/ion | 1/4 |
Water | 468 |
B-factors | 36.5 |
Protein | 34.8 |
Ligand/ion | 42.4 |
Water | 40.6 |
R.m.s. deviations | |
Bond lengths (Å) | 0.017 |
Bond angles (°) | 1.71 |
