Table 1.
Crystallographic summary
Wavelength | λ1 1.0095 Å | λ2 1.0087 Å | λ3 0.9101 Å | λ4 1.037 Å | λ3 + λ4 |
---|---|---|---|---|---|
Data | |||||
Data range (Å) | 30–2.2 | 30–2.2 | 30–2.0 | 20–1.7 | 30–1.7 |
(2.28–2.20) | (2.28–2.20) | (2.07–2.00) | (1.76–1.70) | (1.76–1.70) | |
Unique reflections | 14,474 | 14,485 | 19,335 | 33,698 | 35,377 |
Average multiplicity | 7.3 | 7.3 | 7.9 | 4.7 | 8.7 |
Completeness (%) | 87.0 | 87.0 | 88.0 | 93.3 | 97.9 |
(53.4) | (53.2) | (56.3) | (95.7) | (95.6) | |
Rsym (%)* | 4.9 | 5.2 | 9.7 | 3.8 | 5.3 |
(6.6) | (6.9) | (5.4) | (8.9) | (8.6) | |
〈I/σ1〉 | 15.7 | 15.4 | 14.2 | 24.3 | 22.9 |
(10.9) | (10.3) | (8.2) | (11.7) | (12.0) | |
Phasing power† | 1.04 | 1.20 | – | 0.77 | |
Refinement | All data | ||||
Rwork‡ | 16.6% | ||||
Rfree‡ | 19.7% | ||||
rmsdbonds | 0.011 Å | ||||
rmsdangles | 1.60° | ||||
Average B factor | 21.6 Å2 | ||||
φ, ψ outliers | None | ||||
rmsd monomers | 0.3 Å |
Values in parentheses pertain to the outermost shell of data.
*Rsym = Σh,i|Ih,i − 〈Ih〉|/Σh,i Ih,i.
†Phasing power = 〈|FH|〉/rms lack of closure.
‡Rfactor = Σh||Fobs| − |Fcalc||/Σh|Fobs|. Five percent of the data were used for Rfree.