TABLE 2.
Summary of the crystallographic data
| Prl complex | |
|---|---|
| Data collection | |
| Beam line | Id14 ESRF |
| Space group | P43212 |
| Unit cell parameter (Å) | a = b = 92.12, c = 215.85 |
| Resolution (Å) | 3.7–107 (3.7–3.9)a |
| Total no. of reflections | 51,126 (7,639) |
| No. of unique reflections | 10,464 (1,483) |
| Completeness (%) | 99.2 (99.9) |
| Rmergeb (%) | 9.3 (17.6) |
| I/σ(I) | 15.6 (6.5) |
| Multiplicity | 4.9 (5.2) |
| Refinement | |
| Resolution (Å) | 3.80–15 |
| No. of reflections used (%) | 98.7 (9437) |
| R/Rfree (%)c | 25.2/32.3 |
| Cross-validated estimated coordinate error from sigma (Å) | 0.43 |
| No. of residues positioned/total | 569/633 |
| Mean B value (Å2) | 94.1 |
| Root mean square deviation bond lengths (Å) | 0.009 |
| Root mean square deviation bond angles (°) | 1.247 |
| Ramachandran plot (%) | |
| Most favored A/B/C | 88.9 |
| Allowed | 8.9 |
a Values in parentheses are for the highest resolution shell.
b Rmerge = ΣhΣj|〈I〉h − Ih,j|/ΣhΣjIh,j, where 〈I〉h is the mean intensity of symmetry equivalent reflections.
c Σ|Fobs − Fcalc|/ΣFobs. The formula for Rfree is the same as that for R, except that it is calculated with a portion of the structure factors that had not been used for refinement.