Table 1.
V-Csn apo1 | V-Csn apo1 Br-SAD | V-Csn apo2 | |
---|---|---|---|
Space group | C2 | C2 | C2 |
Resolution range (Å) | 37.2-0.89 (0.91-0.89) | 37.2-1.60 (1.63-1.60) | 38.1-1.35 (1.37-1.35) |
Unit cell | |||
-a, b, c (Å) | 108.84, 47.63. 45.55 | 108.66, 47.53. 45.62 | 163.30, 46.00. 73.56 |
- β (°) | 97.8 | 97.9 | 92.3 |
Mathews coefficient |
2.45 (49.7% solvent) |
2.44 (49.6% solvent) |
2.89 (57.4% solvent) |
Molecules in the A.U. | 1 | 1 | 2 |
Reflections (observed/unique) | 1148940/174574 | 400825/30343 | 803185/117982 |
Rmeas # (%) | 0.093 (1.265) | 0.107 (0.597) | 0.060 (1.166) |
Rpim # (%) | 0.036 (0.549) | 0.029 (0.192) | 0.023 (0.454) |
I/σ | 11.4 (1.6) | 19.8 (4.3) | 16.1 (1.5) |
Completeness (%) | 99.1 (91.3) | 99.2 (90.6) | 98.4 (95.4) |
CC½ $ | 0.998 (0.609) | 0.999 (0.896) | 1.0 (0.847) |
Multiplicity | 6.6 (5.0) | 13.2 (9.3) | 6.8 (6.3) |
Wilson B (Å2) | 5.3 | 12.4 | 15.4 |
Anomalous completeness | - | 99.0 (89.5) | - |
Anomalous multiplicity | - | 6.7 (4.7) | - |
CCanom & | - | 0.415 | - |
MSAN ± | - | 1.40 | - |
*Numbers in parentheses relate to the highest resolution shell. #Rmeas is the redundancy-independent merging R factor and Rpim is the precision-indicating merging R factor71. $Percentage of correlation between intensities from random half-sets of data72. &Correlation of ΔIanom from two random half-sets73. ±MSAN is the mid-slope of the anomalous normal probability plot. Values >1 indicate significant anomalous signal73.