| |
CPH/IP5(6)
|
|---|
|
Date Collection
| |
|
Space group
|
C2
|
|
Unit-cell parameters (Å)
|
a = 82.5, b = 47.6 and c = 87.6 α = β = γ = 90
|
|
No. of molecules in asymmetric unit
|
3
|
|
Resolution range (Å)a
|
50.00 - 1.65 (1.71-1.65)
|
|
Unique reflections
|
39 679
|
|
Data Redundancya
|
3.5 (2.5)
|
|
Completeness (%)a
|
98.47 (91.4)
|
|
I/σ(I)a
|
26.6 (2.4)
|
|
R
merge
(%)a
|
3.9 (36.3)
|
|
Model and refinement
| |
|
Resolution range (Å)a
|
87.71-1.75 (1.79-1.75)
|
|
R
work
(%)
|
18.0
|
|
R
free
(%)
|
24.3
|
|
No. of reflections
|
31 402 (28 793 in working set and 2609 in test set)
|
|
No. of waters
|
315
|
|
r.m.s.d bond lengths (Å)
|
0.024
|
|
r.m.s.d bond angles (°)
|
2.3
|
|
Average B factor (Å2)
|
40.1
|
|
PDB code
|
2I5C
|
- aData for the highest resolution shell are shown in parentheses.
