| |
HpFabZ-Emodin
|
|---|
|
Data collection
| |
|
Space group
|
P212121
|
|
Cell dimensions
| |
|
a, b, c(Å)
|
74.2036, 100.3975, 186.4314
|
|
α, β, γ (°)
|
90.00, 90.00, 90.00
|
|
Wavelength (Å)
|
1.5418
|
|
Resolution (Å)1
|
20-2.30 (2.42-2.30)
|
|
Rmerge (%)
|
12.4 (55.5)
|
|
I/σI
|
18.8 (2.6)
|
|
Completeness (%)
|
99.6 (98.3)
|
|
Redundancy
|
8.9 (6.1)
|
|
Refinement
| |
|
Resolution (Å)
|
20-2.30 (2.42-2.30)
|
|
No. reflections
|
54135
|
|
Rwork/Rfree
|
0.199/0.233
|
|
No. atoms
| |
|
Protein
|
7274
|
|
Ligand/ion
|
69
|
|
Compound
|
40
|
|
Water
|
468
|
|
B-factors
| |
|
Protein
|
24.081
|
|
Ligand/ion
|
38.819
|
|
Water
|
29.006
|
|
Compound
|
42.133
|
|
R.m.s deviations
| |
|
Bond lengths (Å)
|
0.008
|
|
Bond angles (°)
|
1.4
|
- 1Numbers in parentheses represent statistics in highest resolution shell
