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) 0.904
min(B-factor)‡ 30.3
avg(B-factor)‡ 32.4
max(B-factor)‡ 36.2
min(occupancy)‡ 1.00
max(occupancy)‡ 1.00
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 14/25
'bad' bond angles 16/31
'unusual' dihedrals 0/3
'bad' rings 1/3
bonds rms Z 9.3
angles rms Z 5.5

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
'common' → green
'unknown' → gray
details

Mogul rings
'bad' → purple, 'poor' → violet
'ok' → lime, '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) 0.963
min(B-factor)‡ 18.4
avg(B-factor)‡ 21.9
max(B-factor)‡ 25.7
min(occupancy)‡ 1.00
max(occupancy)‡ 1.00
‡ hydrogen atoms excluded

Mogul Analysis:
'bad' bonds 9/45
'bad' bond angles 8/60
'unusual' dihedrals 0/6
'bad' rings 0/4
bonds rms Z 3.0
angles rms Z 3.1

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