Main X-ray Ligand analysis Geometry details Refinement progress Real-space correlation coefficients MolProbity analysis

Ligand analysis

Residue Picture Statistics Geometry Analysis
880
A 501 A

Density around 880 A 501 A:
2mFo-DFc (at 1.3 rmsd) in grey.
mFo-DFc (at 3 rmsd) in red (negative) and green (positive),
(picture produced with PyMOL)

CC(2Fo-Fc) -
min(B-factor)‡ 5.1
avg(B-factor)‡ 13.6
max(B-factor)‡ 24.3
min(occ)‡ 0.68
max(occ)‡ 1.00
‡ hydrogen atoms excluded
Mogul Analysis:
"bad" bonds 0/38
"bad" angles 0/45
"unusual" dihedrals 0/4
"bad" rings 0/5
bonds rms Z 0.4
angles rms Z 0.7

Restraints used

Detailed report

Mogul bonds
"good""unknown"
Details

Mogul angles
"ok" "good""unknown"
Details

Mogul dihedrals
 "rare""common""unknown"
Details

Mogul rings
"good""unknown"
Details

880
A 501 B

Density around 880 A 501 B:
2mFo-DFc (at 1.3 rmsd) in grey.
mFo-DFc (at 3 rmsd) in red (negative) and green (positive),
(picture produced with PyMOL)

CC(2Fo-Fc) -
min(B-factor)‡ 6.0
avg(B-factor)‡ 13.0
max(B-factor)‡ 24.3
min(occ)‡ 0.32
max(occ)‡ 1.00
‡ hydrogen atoms excluded
Mogul Analysis:
"bad" bonds 0/38
"bad" angles 0/45
"unusual" dihedrals 0/4
"bad" rings 0/5
bonds rms Z 0.4
angles rms Z 0.6

Restraints used

Detailed report

Mogul bonds
"good""unknown"
Details

Mogul angles
"ok" "good""unknown"
Details

Mogul dihedrals
 "rare""common""unknown"
Details

Mogul rings
"good""unknown"
Details

ANP
A 502

Density around ANP A 502 :
2mFo-DFc (at 1.3 rmsd) in grey.
mFo-DFc (at 3 rmsd) in red (negative) and green (positive),
(picture produced with PyMOL)

CC(2Fo-Fc) 0.852
min(B-factor)‡ 23.4
avg(B-factor)‡ 36.6
max(B-factor)‡ 46.9
min(occ)‡ 0.69
max(occ)‡ 0.69
‡ hydrogen atoms excluded
Mogul Analysis:
"bad" bonds 1/28
"bad" angles 0/33
"unusual" dihedrals 0/3
"bad" rings 0/3
bonds rms Z 1.3
angles rms Z 0.5

Restraints used

Detailed report

Mogul bonds
"bad" "poor" "ok" "good""unknown"
Details

Mogul angles
"ok" "good""unknown"
Details

Mogul dihedrals
 "rare""common""unknown"
Details

Mogul rings
"good""unknown"
Details

help? see BUSTER wiki Ligand Reports
Main X-ray Ligand analysis Geometry details Refinement progress Real-space correlation coefficients MolProbity analysis