TABLE 1.
X-ray data collection and refinement statistics
| Parameter | Result for complex of IR kinase domain and Irfin1 |
|---|---|
| Space group | P212121 |
| Unit cell | a = 50.84, b = 89.21, and c = 142.19 Å; α = 90, β = 90, and γ = 90° |
| Resolution range (Å)a | 50–1.8 |
| No. of observed reflections | 405,939 |
| No. of unique reflections | 60,964 |
| Redundancy | 6.7 (4.6) |
| Completeness (%) | 99.8 (97.8) |
| Rsymb | 0.075 (0.502) |
| Mean I/σI | 25.6 (2.1) |
| Refinement statistics | |
| Resolution range (Å) | 50–1.8 |
| Reflections | 57,490 |
| Rcryst/Rfree (%) | 18.2/21.7 |
| No. of atoms refined | 5310 |
| Protein | 4706 |
| Water | 554 |
| Irfin1 | 50 |
| r.m.s.d. from ideal geometryc | |
| Bond lengths (Å) | 0.010 |
| Bond angles | 1.38° |
| Mean B-factors (Å2) | 17.3 |
| Protein (Å2) | 16.4 |
| Water (Å2) | 25.6 |
| Irfin1 (Å2) | 14.1 |
| Wilson B-factor (Å2) | 17.1 |
a Data in parentheses correspond to the outermost resolution shell.
b Rsym = Σ(hkl)Σ(j)|Ij − 〈I〉 is the mean intensity of j observations from a reflection hkl and its symmetry equivalents.
c r.m.s.d. indicates root mean square deviation.