Table 1.
Data collection and merging statistics for Drc
| Data collection statistics | ||
| Wavelength (Å) | 1.00 | 2.07 |
| Resolution range (Å) | 44.42–2.20 (2.27–2.20)a | 44.42–2.80 (2.95–2.80) |
| Space group | I 41 2 2 | I 41 2 2 |
| Unit cell (Å; °) | 88.84, 88.84, 63.19; 90, 90, 90 | 88.84, 88.84, 63.13; 90, 90, 90 |
| R merge (%) | 4.3 (43.4) | 6.7 (27.4) |
| R pim (%) | 1.8 (17.3) | 0.7 (3.1) |
| <I/σ(I)> | 31.3 (5.9) | 78.90 (19.62) |
| Total reflections | 86 244 (7801) | 505 914 (33 930) |
| Unique reflections | 6690 (571) | 5970 (444) |
| Completeness | 100.0 (100.0) | 99.9 (99.9) |
| Multiplicity | 12.9 (13.7) | 83.8 (77.1) |
| CCano (%) | NA | 50 (19) |
| SigAno | NA | 1.77 (0.99) |
| Refinement statistics | ||
| R work/Rfreeb (%) | 22.72/28.59 | |
| R.m.s.d. bond lengths (Å) | 0.007 | |
| R.m.s.d. bond angles (°) | 0.88 | |
| Average B-factors (Å2) | ||
| Main chain | 55.51 | |
| Side chain | 60.53 | |
| Waters | 64.60 | |
| Phosphate | 70.08 | |
| Ramachandran plotc (%) | ||
| Residues in favoured regions | 93.75 | |
| Outliers | 0.00 | |
aValues in parentheses are for the outermost resolution shell.
b R free is calculated using a random 5% of data excluded from the refinement.
cRamachandran analysis was carried out using Molprobity (55).
NA = not applicable.