Table 1. Data-collection and refinement statistics for RGAE D192N.
Values in parentheses are for the outer resolution shell.
| Total No. of reflections | 497682 |
| Unique reflections | 55818 |
| Resolution range (Å) | 19.73–1.33 (1.35–1.33) |
| Completeness (%) | 99.5 (98.3) |
| I/σ(I) > 2 (%) | 91.3 (72.8) |
| Rmerge (%) | 3.2 (19.8) |
| Average redundancy | 8.9 (2.3) |
| R, all data† (%) | 11.57 |
| R, Fo > 4σ(Fo)† (%) | 10.98 |
| Rfree, all data‡ (%) | 15.34 |
| Rfree, Fo > 4σ(Fo)‡ (%) | 14.56 |
| No. of non-H atoms in model§ | |
| Protein | 1768 |
| GlcNAc + acetate | 32 |
| Water molecules | 355 |
| 〈B〉§ (Å2) | |
| Protein main chain | 13.3 |
| Protein side chain | 15.6 |
| GlcNAc + acetate | 35.6 |
| Water molecules | 37.3 |
| Ramachandran statistics¶ | |
| Core (%) | 99.0 |
| Outliers (%) | 1.0 |
Using all reflections (work and free set).
Based on 5% randomly chosen reflections.
Including disordered atoms.
Kleywegt & Jones (1996 ▶). The STructure ANalysis (STAN) server (http://xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl) was used.