Software | Name | Version | Classification |
---|
DM | | model building X-PLOR | 3.82 | refinementDENZO | | data reductionSCALEPACK | | data scalingDM | | phasing | | | | |
|
---|
Refinement | Method to determine structure : MIR / Resolution: 1.48→30 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
| Rfactor![](img/lk-wikipe.gif) | Num. reflection | % reflection | Selection details |
---|
Rfree![](img/lk-wikipe.gif) | 0.241 | 1476 | 10.1 % | RANDOM |
---|
Rwork![](img/lk-wikipe.gif) | 0.198 | - | - | - |
---|
all![](img/lk-wikipe.gif) | 0.202 | 14554 | - | - |
---|
obs | 0.198 | 14554 | 97.9 % | - |
---|
|
---|
Displacement parameters | Biso mean: 16.5 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
---|
1- | 0 Å2 | 0 Å2 | 0 Å2 |
---|
2- | - | 0 Å2 | 0 Å2 |
---|
3- | - | - | 0 Å2 |
---|
|
---|
Refine analyze | | Free | Obs |
---|
Luzzati coordinate error | 0.2 Å | 0.17 Å |
---|
Luzzati d res low | - | 5 Å |
---|
Luzzati sigma a | 0.2 Å | 0.18 Å |
---|
|
---|
Refinement step | Cycle: LAST / Resolution: 1.48→30 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
---|
Num. atoms | 718 | 0 | 10 | 85 | 813 |
---|
|
---|
Refine LS restraints | Refine-ID | Type | Dev ideal | Dev ideal target |
---|
X-RAY DIFFRACTION | x_bond_d0.018 | | X-RAY DIFFRACTION | x_angle_deg1.8 | | X-RAY DIFFRACTION | x_dihedral_angle_d16 | | X-RAY DIFFRACTION | x_improper_angle_d1.54 | | X-RAY DIFFRACTION | x_mcbond_it0.82 | 1.5 | X-RAY DIFFRACTION | x_mcangle_it1.21 | 2 | X-RAY DIFFRACTION | x_scbond_it3.66 | 2 | X-RAY DIFFRACTION | x_scangle_it6.54 | 2.5 | | | | | | | | |
|
---|
LS refinement shell | Resolution: 1.48→1.57 Å / Rfactor Rfree error: 0.022 / Total num. of bins used: 6
| Rfactor | Num. reflection | % reflection |
---|
Rfree | 0.314 | 196 | 9.2 % |
---|
Rwork | 0.285 | 1933 | - |
---|
obs | - | 1934 | 88 % |
---|
|
---|
Software | *PLUS Name: X-PLOR(ONLINE) / Version: 3.82 / Classification: refinement |
---|
Refinement | *PLUS σ(F): 0 / % reflection Rfree: 10.1 % |
---|
Solvent computation | *PLUS |
---|
Displacement parameters | *PLUS Biso mean: 16.5 Å2 |
---|
Refine LS restraints | *PLUS Refine-ID | Type | Dev ideal | Dev ideal target |
---|
X-RAY DIFFRACTION | x_angle_deg1.8 | | X-RAY DIFFRACTION | x_dihedral_angle_d | | X-RAY DIFFRACTION | x_dihedral_angle_deg16 | | X-RAY DIFFRACTION | x_improper_angle_d | | X-RAY DIFFRACTION | x_improper_angle_deg1.54 | | X-RAY DIFFRACTION | x_mcbond_it | 1.5 | X-RAY DIFFRACTION | x_scbond_it | 2 | X-RAY DIFFRACTION | x_mcangle_it | 2 | X-RAY DIFFRACTION | x_scangle_it | 2.5 | | | | | | | | | |
|
---|
LS refinement shell | *PLUS Rfactor Rfree: 0.314 / % reflection Rfree: 9.2 % / Rfactor Rwork: 0.285 |
---|