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

Ligand analysis

Residue Picture Statistics Geometry Analysis
468
A 501

Electron density around 468 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 468 (PDB)
3-letter code 468
CC(2mFo-DFc) 0.964
min(B-factor)‡ 26.3
avg(B-factor)‡ 32.7
max(B-factor)‡ 54.8
min(occupancy)‡ 1.00
max(occupancy)‡ 1.00
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 0/25
'bad' bond angles 0/31
'unusual' dihedrals 0/3
'bad' rings 0/3
bonds rms Z 0.3
angles rms Z 0.5

Restraints used

Detailed report

help?

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

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

Mogul dihedrals
'common' → green
'unknown' → gray
details

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

NAD
A 500

Electron density around NAD A 500 :
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 NAD (PDB)
3-letter code NAD
CC(2mFo-DFc) 0.981
min(B-factor)‡ 17.7
avg(B-factor)‡ 22.0
max(B-factor)‡ 25.5
min(occupancy)‡ 1.00
max(occupancy)‡ 1.00
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 0/45
'bad' bond angles 0/60
'unusual' dihedrals 0/6
'bad' rings 0/4
bonds rms Z 0.6
angles rms Z 0.9

Restraints used

Detailed report

help?

Mogul bonds
'ok' → lime, '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

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