TABLE 1.
Crystallographic statisticsa
| Parameter | MAGI-1 PDZ1 (with E6 peptide) | SAP97 PDZ2 (with E6 peptide) | SAP97 PDZ3 (with E6 peptide) |
|---|---|---|---|
| Crystal cell parameters | |||
| Space group | P21 | C2 | C2 |
| Cell dimensions | |||
| a, b, c (Å) | 48.9, 27.6, 59.5 | 90.9, 44.2, 52.5 | 94.2, 61.9, 57.1 |
| β (°) | 105.4 | 121.8 | 123.3 |
| Data collection statistics | |||
| Resolution range (Å) | 50.0-2.1 | 50-2.3 | 50-2.8 |
| No. of observations | 35,814 | 24,166 | 21,871 |
| No. of unique reflections | 9,135 | 6,986 | 6,843 |
| % Completeness | 98.0 (84.3) | 89.0 (93.5) | 93.7 (82.0) |
| Rsym of last bin (%) | 3.9 (5.6) | 9.1 (33.1) | 5.3 (17.1) |
| I/σ of last bin | 35.8 (21.6) | 12.5 (2.2) | 21.4 (6.6) |
| Refinement statistics | |||
| Rcryst (%) | 21.4 | 23.7 | 21.7 |
| Rfree (%) | 26.7 | 29.8 | 28.4 |
| Root mean square deviation | |||
| Bond length (Å) | 0.010 | 0.0089 | 0.0066 |
| Bond angle (°) | 1.8 | 1.7 | 1.4 |
| Average B factor (Å2) | 22.56 | 28.75 | 48.56 |
a
Rsym = ∑ij|Ii(j) − < I(j) >|/ ∑ij Ii(j), where Ii(j) is the ith measurement of reflection j and < I(j) > is the overall weighted mean of i measurements. Rcryst = Σhkl ∥ Fo<1/2>|−<1/2>|Fc ∥ / Σhkl |<1/2>Fo<1/2>|. Seven percent of the reflections were excluded for the Rfree calculation.