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

Density around 880 A 501 :
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) 0.956
min(B-factor)‡ 28.7
avg(B-factor)‡ 36.2
max(B-factor)‡ 44.2
min(occ)‡ 1.00
max(occ)‡ 1.00
‡ hydrogen atoms excluded
Mogul Analysis:
"bad" bonds 0/38
"bad" angles 0/43
"unusual" dihedrals 0/4
"bad" rings 0/4
bonds rms Z 0.5
angles rms Z 1.0

Restraints used

Detailed report

Mogul bonds
"good""unknown"
Details

Mogul angles
"poor" "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) 0.790
min(B-factor)‡ 35.7
avg(B-factor)‡ 46.6
max(B-factor)‡ 56.1
min(occ)‡ 0.50
max(occ)‡ 0.50
‡ hydrogen atoms excluded
Mogul Analysis:
"bad" bonds 0/28
"bad" angles 0/33
"unusual" dihedrals 0/3
"bad" rings 0/3
bonds rms Z 0.8
angles rms Z 0.5

Restraints used

Detailed report

Mogul bonds
"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