Table 1. Data collection and structural refinement statistics.
Data collectiona | |
---|---|
Space group | P212121 |
Cell dimensions | |
a, b, c (Å) | 92.24, 98.18, 167.89 |
Resolution (Å) | 30.0–2.40 (2.44–2.40)b |
Rmerge (%) | 11.2 (71.2) |
Rpim (%) | 3.3 (27.9) |
I/σ(I) | 29.4 (2.13) |
Completeness (%) | 90.0 (54.2) |
Redundancy | 11.6 (6.1) |
Refinement | |
Resolution (Å) | 30.0–2.40 (2.44–2.40) |
No. reflections | 55,261 (2,164) |
Rwork/Rfreec (%) | 18.3/22.7 (22.3/30.3) |
No. atoms | |
Protein | 6,945 |
DNA | 2,120 |
Water | 233 |
Ca2+ ions | 6 |
Ethylene glycol | 4 |
B factors (Å2) | |
Protein and DNA | 87.3 |
Water | 74.9 |
Ca2+ ions | 84.4 |
Ethylene glycol | 87.4 |
Rmsd bond lengths (Å) | 0.011 |
Rmsd bond angles (°) | 1.11 |
aData were collected at 100 K.
bValues in parentheses are for the highest-resolution shell.
cRfree was calculated with a subset of data (5%) that was never used in refinement.