Table 1. X-ray data-collection and refinement statistics.
Values in parentheses are for the outer shell.
| Space group | R32:H |
| a, b, c (Å) | 46.9, 46.9, 402.1 |
| α, β, γ (°) | 90, 90, 120 |
| Wavelength (Å) | 0.9795 |
| Resolution range (Å) | 44.7–1.86 (1.93–1.86) |
| No. of unique reflections | 15101 (1465) |
| Completeness (%) | 99.9 (100) |
| Multiplicity | 20.9 (21.6) |
| 〈I/σ(I)〉 | 31.5 (5.3) |
| R meas † (%) | 7.5 (67.0) |
| R p.i.m. ‡ (%) | 1.6 (14.3) |
| CC1/2 § | 0.964 |
| Overall Wilson B value (Å2) | 24 |
| No. of reflections (work) | 14231 (1379) |
| No. of reflections (test) | 764 (86) |
| R cryst ¶ (%) | 18.4 (22.0) |
| R free ¶ (%) | 20.6 (25.5) |
| No. of non-H atoms | |
| Protein | 1117 |
| Water | 115 |
| R.m.s. deviations | |
| Bonds (Å) | 0.008 |
| Angles (°) | 1.00 |
| Average B values (Å2) | |
| Protein | 30 |
| Water | 43 |
| Ramachandran plot | |
| Most favoured (%) | 99.29 |
| Allowed (%) | 0.71 |
†
R
meas = 
.
‡
R
p.i.m. = 
.
§
CC1/2 is the Pearson correlation coefficient between two random half data sets for the outer shell.
¶
R
meas = 
; R
free is defined as R
cryst calculated from 5% of reflections that were excluded during refinement.