Table 1.
Crystallographic statistics.
| H20/Y48 azurin | |
|---|---|
| Space group | P 21 21 21 |
| A,B,C | 48.026, 56.330, 82.910 |
| α,β,γ | 90, 90, 90 |
| Observed reflectionsa | 262814 (32071) |
| Unique reflectionsa | 70523 (10078) |
| Completenessa | 94.9% (84.9%) |
| Robsa,b | 4.3% (27.1%) |
| I/σIa,c | 15.63 (3.72) |
| Resolution range | 1.18–20.0 |
| High resolution bin | 1.182–1.213 |
| Rfree (e.s.u.) | 21.7% (0.047 Å) |
| Rworking set(e.s.u.) | 19.5 % (0.048 Å) |
| Mean B | 12.878 |
| RMS deviation: bond lengths | 0.029 |
| RMS deviation: bond angles | 2.336 |
| Refined amino acids (waters) | 254 (277) |
a
Total (outershell).
b
(SUM(ABS(I(h,i)−I(h))))/(SUM(I(h,i))).
c
mean of intensity/σI of unique reflections (after merging symmetry-related observations).