X-ray source
|
Beamline 5C, Pohang Accelerator Laboratory
|
---|
PDB code
|
5CB0
|
Wavelength (Å)
|
1.000
|
Space group
|
I4122
|
Resolution (Å)
|
19.9-3.2
|
Parameters (Å)
|
a = b = 121.1 Å, c = 241.7 Å, α = β = γ = 90o
|
Rsym (%)
|
15.3 % (33.4 %)
|
Completeness (%)
|
92.7 (90.2)
|
Redundancy
|
5.3 (3.6)
|
Average I/σ (I)
|
9.2 (3.3)
|
R-factor (%)
|
24.31
|
Rfree (%)
|
30.06
|
Rmsd for bonds (Å)
|
0.007
|
Rmsd for angles (◦)
|
1.393
|
Ramachandran plot (%)
| |
Favored regions
|
93.64 %
|
Allowed regions
|
5.12 %
|
Disallowed regions
|
1.24 %
|
Number of atoms
| |
Protein
|
4630
|
Ligand
|
34
|
Average B factor (Å2)
|
70.54
|
- †R
merge=∑
hkl
∑
i
│ I
i
(hkl)-<I(hkl) >│∑
hkl
∑
i
│ I
i
(hkl) , where I(hkl), where I(hkl) is the intensity of reflection hkl, ∑
hkl
is the sum over all reflections and ∑
I
is the sum over i measurements of reflection hkl. ‡R
work =∑
hkl
│F
o-F
c│/∑
hkl
│F
o│ for all data with F
o
>2σ(F
o), excluding data used to calculate R
free. §R
free =∑
hkl
│F
o-F
c│/∑
hkl
│F
o│ for all data with F
o
>2σ(F
o) that were excluded from refinement