Table 1.
Data | Value |
---|---|
Crystal data | |
Space group | P21 |
Cell constants | a = 35.7 Å, b = 55.8 Å, c = 74.7 Å, β = 92.2° |
Molecules/asymmetric unit | 1 |
Matthews’ constant (Vm), Å3/Da | 2.16 |
Maximum resolution, Å | 1.9 |
Data collection and processing | |
Independent reflections | 14,803 |
Completion, % (to 2.1 Å) | 85 |
I/σ (overall) | 10.0 |
I/σ (2.18–2.10 Å) | 2.5 |
Wilson temperature factor, Å2 | 14.6 |
Rmerge, % (to 2.1 Å) | 11.6 |
Molecular replacement | |
Rotation | α = 11.1°, β = 147.7°, γ = 355.8° |
Translation | TA = 42.4 Å, TB = —, TC = 89.1 Å |
Rfactor, % | 49.2 |
Correlation coefficient | 34.0 |
Refinement | |
Rcryst (60–2.1 Å), % | 19.1 |
Rfree (60–2.1 Å), % | 28.8 |
rms bond length deviation, Å | 0.01 |
rms bond angle deviation, ° | 1.9 |
rms B factor deviation,* Å2 | 1.7 |
*Temperature factor restraint library of Tronrud (19).