Table 1.

Data collection and refinement statistics.

Molecule nameSeMet SH3BP5-RA/M167ASeMet SH3BP5-RA/M167ANative SH3BP5-RASH3BP5–Rab11a
PDB ID6IXE6IXF6IXG6IXV
Data collection
 BeamlineSPring-8 BL41XUSPring-8 BL41XUSPring-8 BL41XUSPring-8 BL41XU
 Space groupI41P41P41I222
Cell constants
a, b, c (Å)79.3, 79.3, 108.178.3, 78.3, 93.080.1, 80.1, 95.0117.8, 199.1, 303.9
 α, β, γ (°)90.0, 90.0, 90.090.0, 90.0, 90.090.0, 90.0, 90.090.0, 90.0, 90.0
 Resolution50–3.35 (3.41–3.35)50–3.6 (3.66–3.6)50–3.8 (3.87–3.8)50–3.8 (3.87–3.8)
Rsym0.158 (0.357)0.181 (0.704)0.187 (0.707)0.157 (1.546)
II30.0 (2.52)14.9 (1.04)14.9 (1.42)41.1 (1.32)
 Redundancy8.2 (3.2)8.2 (3.9)9.1 (5.1)32.6 (16.4)
 Completeness (%)96.9 (89.0)97.5 (92.3)94.4 (80.1)100.0 (100.0)
Refinement
 Resolution (Å)38.9–3.3547.5–3.640–3.849.8–3.8
 No. reflections4,6896,3985,57835,564
Rwork/Rfree0.269/0.3140.234/0.2610.242/0.2780.229/0.259
No. atoms
 Protein1,7373,6133,57712,750
 Ligand/ion80015
B-factors (Å2)
 Protein122.7119.3140.2224.9
 Ligand/ion127.3270.9
Rmsds
 Bond lengths (Å)0.0030.0030.0030.001
 Bond angles (°)0.6580.6040.6780.461
Ramachandran plot
 Favored (%)99.097.599.597.0
 Allowed (%)1.02.50.53.0
 Outliers (%)0.00.00.00.0