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

Electron density around 880 A 501 :
2mFo-DFc (at 0.7 rmsd) in grey.
mFo-DFc (at 3 rmsd) in red (negative) and green (positive),
(picture produced with PyMOL)

Database ID 880 (PDB)
3-letter code 880
CC(2mFo-DFc) 0.950
min(B-factor)‡ 30.2
avg(B-factor)‡ 35.5
max(B-factor)‡ 45.5
min(occupancy)‡ 1.00
max(occupancy)‡ 1.00
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 11/38
'bad' bond angles 7/43
'unusual' dihedrals 2/4
'bad' rings 0/4
bonds rms Z 4.2
angles rms Z 3.0

Restraints used

Detailed report

help?

Mogul bonds
'bad' → purple, 'poor' → violet
'ok' → lime, 'good' → green
'unknown' → gray
details

Mogul angles
'bad' → purple, 'poor' → violet
'ok' → lime, 'good' → green
'unknown' → gray
details

Mogul dihedrals
'unusual' → violet
'rare' → lime, 'common' → green
'unknown' → gray
details

Mogul rings
'ok' → lime, 'good' → green
'unknown' → gray
Details

ANP
A 502

Electron density around ANP A 502 :
2mFo-DFc (at 0.7 rmsd) in grey.
mFo-DFc (at 3 rmsd) in red (negative) and green (positive),
(picture produced with PyMOL)

Database ID ANP (PDB)
3-letter code ANP
CC(2mFo-DFc) 0.769
min(B-factor)‡ 43.6
avg(B-factor)‡ 48.9
max(B-factor)‡ 54.1
min(occupancy)‡ 0.50
max(occupancy)‡ 0.50
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 6/28
'bad' bond angles 9/33
'unusual' dihedrals 0/3
'bad' rings 0/3
bonds rms Z 4.3
angles rms Z 4.3

Restraints used

Detailed report

help?

Mogul bonds
'bad' → purple, 'poor' → violet
'ok' → lime, 'good' → green
'unknown' → gray
details

Mogul angles
'bad' → purple, 'poor' → violet
'ok' → lime, 'good' → green
'unknown' → gray
details

Mogul dihedrals
'rare' → lime, 'common' → green
'unknown' → gray
details

Mogul rings
'good' → green
'unknown' → gray
Details

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