6VHC
1.4A damaged structure of GSNQNNF used to determine initial phases from radiation damage
Experimental procedure
Spacegroup name | P 1 |
Unit cell lengths | 4.880, 14.170, 17.620 |
Unit cell angles | 83.60, 84.98, 83.31 |
Refinement procedure
Resolution | 13.970 - 1.400 |
Rwork | 0.243 |
R-free | 0.32200 |
Data scaling software | XSCALE |
Refinement software | SHELX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 1.510 | ||
High resolution limit [Å] | 1.400 | 3.700 | 1.400 |
Rmerge | 0.199 | 0.192 | 0.272 |
Rmeas | 0.210 | 0.202 | 0.287 |
Total number of observations | 6314 | ||
Number of reflections | 722 | 38 | 154 |
<I/σ(I)> | 8.67 | 11.52 | 6.6 |
Completeness [%] | 78.1 | 76 | 79 |
Redundancy | 8.745 | 9.368 | 9.383 |
CC(1/2) | 0.982 | 0.987 | 0.963 |