Table 1. Crystallographic data and refinement statistics for the PARP-2 NLS:IMPα1ΔIBB complex.
| Data collectiona | |
| PARP-2 NTR bound to Importin α | |
| Space group | P212121 |
| Unit cell dimensions | a = 78.6 Å b = 90.0 Å, c = 100.0 Å |
| α = β = γ = 90.0 ° | |
| 1 molecule/asymmetric unit | |
| Wavelength (Å) | 1.08 |
| Resolution range (Å) | 45.0–1.9 (1.97–1.90) |
| Completeness (%) | 99.7 (99.4) |
| Average redundancy | 6.8 (6.7) |
| Mean (I/σI)b | 20.7 (1.9) |
| Rmerge (%)b | 5.9 (105.0) |
| Rpim (%)b | 2.5 (43.6) |
| Mean I CC(1/2)b | 0.999 (0.600) |
| Model refinementa | |
| Resolution range (Å) | 44.9–1.9 (1.97–1.90) |
| Number of reflections | 56617 (5556) |
| Rcrystc | 0.165 (0.266) |
| Rfreec | 0.190 (0.323) |
| Number of atoms/average B-factor (Å2) | 7177/47.3 |
| Importin α | 3697/42.8 |
| PARP-2 | 137/47.9 |
| solvent | 324/49.0 |
| Phi/Psi, most favored (%) | 98 |
| R.m.s.d. bond angles (°) | 1.27 |
| R.m.s.d. bond lengths (Å) | 0.010 |
aValues in parentheses refer to data in the highest resolution shell.
bAs calculated in SCALA (Winn et al., 2011): Rmerge = ∑hkl∑j|Ij – 〈I〉| / ∑hkl∑j Ij. 〈I〉 is the mean intensity of j observations of reflection hkl and its symmetry equivalents; Rpim takes into account measurement redundancy when calculating Rmerge; Mean I CC(1/2) is the correlation between mean intensities calculated for two randomly chosen half-sets of the data.
cRcryst = ∑hkl|Fobs – kFcalc|/ ∑hkl|Fobs|. Rfree = Rcryst for 5% of reflections excluded from crystallographic refinement.