Table 1.
Data collection, phasing and refinement statistics
| Remote | f″ | f′ | |
|---|---|---|---|
| Space Group | I4122 | ||
| Unit Cell Parameters (Å) | a=b=146.00, c=93.21 | ||
| Wavelength (Å) | 0.9050 | 0.92017 | 0.92030 |
| Resolution Range (Å) | 50.0-2.8 | 50.0-2.8 | 50.0-2.8 |
| Rsymm (in highest resolution shell) | 0.105(0.747) | 0.089 (0.59) | 0.099 (0.706) |
| No. Unique Refs (observed) | 12331 (186023) | 12382 (190046) | 12271 (92360) |
| Completeness (%) (Highest shell) | 97.7(87.5) | 97.8(88.5) | 97.1 (84.1) |
| Highest Resolution Shell (Å) | 2.9-2.8 | ||
| Mean I/σ(I) | 25.2 (2.9) | 19.6(1.5) | 12.0(3.1) |
| Phasing Statistics | |||
| No. of Br sites | 10 | ||
| Mean Figure of Merit | 0.42 (0.19) | ||
| Model and Refinement Statistics | |||
| No. of reflections (total) | 11082 | ||
| No of reflections (test) | 565 | ||
| Rcryst (Rfreea)b | 23.1,(30.8) | ||
| No. nucleic acid atoms | 2474 | ||
| No. hetero atoms | 678 | ||
| Stereochemical Parameters | |||
| rmsd bonds Å | 0.014 | ||
| rmsd angles ° | 1.742 | ||
| Average isotropic B-value (Å2) | 56.75 | ||
| ESU based on Rfree (Å)c | 0.483 | ||
a
Rcryst= Σ | Fo−Fc |/Σ | Fc |, where Fo and Fc are observed and calculated structure factors, respectively. Rfree was calculated from a test set (5%) omitted from the refinement.
b
Rfactor = Σ | Ii−<Ii>| |/Σ| Ii | where Ii is the scaled intensity of the ith measurement, and <Ii> is the mean intensity for that reflection.