Table 1. Data collection and refinement statistics.
Sequence | 5’-TGAGGGTGGGTAGGGTGGGTAA-3’ |
---|---|
Data Collection | |
Space group | P 21 21 2 |
Unit cell dimensions (a, b, c) (Å) α, β, γ (°) | 65.7 69.8 33.0 90 90 90 |
Wavelength (Å) | 0.9793 |
Resolution (Å)* | 34.91–2.35 (2.43–2.35) |
Total reflections* | 85280 (8398) |
Unique reflections* | 6774 (652) |
Multiplicity* | 12.6 (12.9) |
Completeness (%)* | 99.4% (99.7%) |
I/σ* | 33.9 (4.4) |
Wilson B-factor (Å2) | 58.8 |
Rmeas†* | 0.042 (0.605) |
CC1/2‡* | 1.000 (0.966) |
Refinement | |
Resolution (Å)* | 34.91–2.35 (2.53–2.35) |
Rwork§* | 0.220 (0.319) |
Rfree§* | 0.245 (0.322) |
Macromolecules | 2 |
DNA Residues | 44 |
Total Atoms | 956 |
Potassium ions | 6 |
Waters | 16 |
Average Overall B-factor (Å2) | 80.2 |
Average B-factor DNA Residues (Å2) | 80.7 |
Average B-factor Potassium Ions (Å2) | 53.1 |
Average B-factor Waters (Å2) | 59.7 |
RMS (bonds) (Å) | 0.009 |
RMS (angles) (°) | 1.08 |
TLS groups | 2 |
PDB ID | 6AU4 |
*Statistics in parentheticals are for the high-resolution shell
† , where Ii(hkl) is the ith observation of the intensity of the reflection hkl and n is the multiplicity.
§ , where Fobs and Fcalc are the observed and calculated structure-factor amplitudes for each reflection hkl. Rfree was calculated with 10% of the diffraction data that were selected randomly and excluded from refinement.
‡CC1/2 is the intra-dataset Pearson correlation coefficient (CC) calculated by randomly assigning the experimental reflection data to two half-datasets (x, y).