TABLE 1.
Data collection and refinement statistics
Highest resolution shell is shown in parentheses.
| Data collection | |
| Beamline | PF-BL1A (Photon Factory, Tsukuba, Japan) |
| Wavelength (Å) | 1.1 |
| Oscillation angle (o) | 0.5 |
| Number of images | 360 (180o) |
| Space group | P1 |
| Cell dimensions | a = 63.186 Å, b = 67.693 Å, c = 73.045 Å |
| α = 116.48o, β = 114.14o, γ = 90.82o | |
| Resolution range (Å) | 46.52–2.8 (2.896–2.796) |
| Completeness (%) | 93.19 (89.08) |
| Rmerge | 0.1192 (0.4538) |
| Rmeas | 0.1683 |
| 〈I/σ(I)〉 | 6.26 (1.77) |
| CC½a | 0.989 (0.621) |
| CC*b | 0.997 (0.875) |
| Multiplicity | 1.8 (1.8) |
| Wilson B-factor | 37.59 |
| Refinement | |
| Rwork | 0.2284 (0.2872) |
| Rfree | 0.2777 (0.3065) |
| r.m.s.d. | |
| Bond (Å) | 0.003 |
| Angle (o) | 0.74 |
| Ramachandran statistics | |
| Favored regions (%) | 98.7 |
| Allowed regions (%) | 1.2 |
| Outliers (%) | 0.1 |
| Clash score | 6.19 |
| Average B-factor | 45.90 |
a The Pearson correlation coefficient of two half data sets that were derived by averaging half of the observations for a given reflection.
b CC* = √2CC1/2/(1 + CC1/2).