Table 1.
X‐ray data collection | |
Space group | P41212 |
Cell parameters (Å) | a = b = 59.0, c = 159.6 |
Complexes per ASUa | 1 |
Resolution (Å) | 1.95 (2.00–1.95) |
Unique reflections | 21390 |
Rmerge (%) | 0.072 (0.711) |
I/σ(I) | 28.2 (4.3) |
Completeness (%) | 99.8 (100.0) |
Redundancy | 12.8 (12.8) |
Refinement statistics | |
Resolution (Å) | 1.95 (2.00–1.95) |
Number of reflections used | 20319 (1446) |
Fraction of test set for calculating R free (%) | 5.0 |
No. of reflections in the test set | 1070 (76) |
Rwork/Rfree | 0.229/0.252 (0.244/0.274) |
r.m.s.d. bond lengths (Å)/bond angle (°) | 0.010/1.255 |
Number of atoms (total/waters) | 2172/115 |
Values in brackets indicate the specific values in the last resolution shell.
ASU, asymmetric unit.