Table 4.
Pro12Ras | Val12Ras | |
---|---|---|
Data Collection | ||
Resolution limit, Å | 1.7 | 1.9 |
No. of observed reflections | 151,581 | 83,084 |
No. of uniqe reflections | 17,463 | 12,666 |
Completeness, % | 99 | 98.7 |
Rsym, %178 | 8.4 | 9.0 |
Refinement | ||
Resolution range, Å | 5–1.7 | 5–1.9 |
No. of reflections | 16,413 | 11,593 |
Rcryst, %† | 20.3 | 21.8 |
Rfree, %‡ | 26.1 | 27.4 |
rms bond length, Å | 0.006 | 0.008 |
rms bond angle, ° | 1.0 | 1.1 |
Rsym = Σh Σi |Ihi − Ih|/Σhi, where Ihi is the scaled intensity of the ith symmetry-related observation of reflection h, and Ih is the mean value.
Rcryst = Σh|Foh − Fch|/Σh Foh, where Foh and Fch are the observed and calculated structure factor amplitudes for reflection h.
R-factor calculated for 10% of the randomly chosen reflections not included in the refinement.