Table I.
Data collection | Plk2-PBD |
---|---|
Space group | /23 |
Unit cell dimensions | |
a, b, c (Å) | 152.29, 152.29, 152.29 |
α, β, γ (°) | 90, 90, 90 |
Wavelength (Å) | 0.9795 |
Resolution (Å) | 50.0–2.7 (2.75–2.70)b |
Rsyma | 7.2 (35.7) |
I/σ (I) | 48.1 (5.1) |
Completeness (%) | 99.6 (99.4) |
Redundancy | 22.1 (7.9) |
Refinement | |
Resolution (Å) | 50.0–2.7 |
No. of reflections | 16,221 |
Rworkc/Rfree | 22.5/26.3 |
No. atoms | |
Protein | 3467 |
Water and ions | 29 |
RMS deviations | |
Bond lengths (Å) | 0.004 |
Bond angles (°) | 1.048 |
Ramachandran plot (%) | |
Most favored region | 96.0 |
Additionally allowed region | 4.0 |
Generously allowed region | |
Average B-values (Å2) | |
Protein | 49.1 |
Water and ions | 48.3 |
, where Iobs is the observed intensity of individual reflection and Iavg is average over symmetry equivalents.
The numbers in parentheses are statistics from the highest resolution shell.
, where |Fo| and |Fc| are the observed and calculated structure factor amplitudes, respectively. Rfree was calculated with 10% of the data.