Table 1.
Data collection and refinement statistics.
| Mhp Eno | |
|---|---|
| Data collection | |
| Beamline | SSRF BL19U1 |
| Space group | I4 |
| Cell Dimensions | |
| a, b, c (Å) | 193.154, 193.154, 63.943 |
| α, β, γ (°) | 90.0, 90.0, 90.0 |
| Wavelength (Å) | 0.97892 |
| Resolution (Å) | 48.29–2.30 (2.44–2.30) |
| Total no. of reflections | 241,925 |
| Rmerge (%) | 0.108 (0.597) |
| I/σI | 14.2 (3.07) |
| Completeness (%) | 99.8 (99.8) |
| Redundancy | 4.6 (4.7) |
| Refinement | |
| Resolution (Å) | 48.29–2.30 |
| No. reflections | 52,557 |
| Rwork/Rfree (%) | 0.1865/0.2257 |
| No. atoms | 7,101 |
| Protein | 7,000 |
| Water | 57 |
| Average B-factors (Å2) | |
| Protein | 31.3 |
| Water | 24.1 |
| Rmsd Values | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 0.886 |
| Ramachandran plot (%) | |
| Total favored | 96.44% |
| Total allowed | 3.11% |
| Outliers | 0.44% |
| Coordinate error (Å) | 0.29 |
*
The values in parentheses are for the highest-resolution shell.
Rmerge = ∑ | I−〈I〉| /∑I, where I is the integrated intensity of a given reflection.
R = ∑ || Fobs | – | Fcalc | |/∑hkl | Fobs |.
Rfree was calculated using 5% of the data omitted from the refinement.
I /σI = average (I /σI).