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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) 0.956
min(B-factor)‡ 28.7
avg(B-factor)‡ 36.1
max(B-factor)‡ 44.2
min(occupancy)‡ 1.00
max(occupancy)‡ 1.00
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 0/38
'bad' bond angles 0/43
'unusual' dihedrals 0/4
'bad' rings 0/4
bonds rms Z 0.6
angles rms Z 1.0

Restraints used

Detailed report

help?

Mogul bonds
'good' → green
'unknown' → gray
details

Mogul angles
'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

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) 0.796
min(B-factor)‡ 35.8
avg(B-factor)‡ 46.5
max(B-factor)‡ 56.1
min(occupancy)‡ 0.50
max(occupancy)‡ 0.50
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 0/28
'bad' bond angles 0/33
'unusual' dihedrals 0/3
'bad' rings 0/3
bonds rms Z 0.2
angles rms Z 0.3

Restraints used

Detailed report

help?

Mogul bonds
'good' → green
'unknown' → gray
details

Mogul angles
'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