TABLE 1.
Crystal properties, data collection, and refinement statistics for crystals of S. pombe profilin
Values in parentheses are for the highest resolution shell.
| S. pombe profilin (PDB 3D9Y) | S. pombe profilin (PDB 3DAV) | |
|---|---|---|
| Crystallization conditions | 1.3 m Sodium malonate, pH 7, 0.2 m HEPES, pH 7.0, 0.5% JeffamineED2000 | 4.0 m Sodium formate, pH 8.8, 3 mmdmyoinositol 1,4,5-trisphosphate |
| Space group | P1211 | P1211 |
| Unit cell dimensions (Å) | a = 36.12 | a = 35.87 |
| b = 83.58 | b = 82.42 | |
| c = 40.43 | c = 39.74 | |
| Resolution range (Å) | 41.78-1.65 | 41.2-2.20 (2.25-2.20) |
| Completeness (%) | 96.72 (84.22) | 96.5 (69.94) |
| I/σ(I) | 19.3 (2.2) | 15.2 (4.0) |
| Redundancy | 2.8 (1.9) | 2.9 (2.2) |
| Rmerge (%) | 3.9 (2.5) | 9.0 (34.0) |
| Refinement statistics | ||
| Rcryst, %a | 17.5 (24.7) | 17.6 (23.3) |
| Rfree, %b | 20.6 (23.9) | 26.0 (29.5) |
| Bond length r.m.s. deviation (Å) | 0.009 | 0.008 |
| Bond angles r.m.s. deviation | 1.256 | 1.146 |
| Mean B value | 15.22 | 24.06 |
| Water molecules | 220 | 143 |
| Ramachandran plot statistics (%) | ||
| Most favored | 93.8 | 91.8 |
| Additionally allowed | 5.2 | 7.7 |
| Generously | 0 | 0 |
| Disallowed | 1.0 | 1.0 |
a
Rcryst = Σ(Fo — Fc)/Σ(Fo).
b
Rfree = Σ(Fo — Fc)/(Fo) for 5% of data not used in refinement.