Software | Name | Version | Classification |
---|
HKL-2000 | | data collectionPHENIX | (phenix.refine: 1.9_1692)refinementHKL-2000 | | data reductionHKL-2000 | | data scaling | | | | |
|
---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.46→28.724 Å / SU ML: 0.08 / σ(F): 1.34 / Phase error: 9.87 / Stereochemistry target values: ML
| Rfactor | Num. reflection | % reflection |
---|
Rfree | 0.1332 | 2335 | 5 % |
---|
Rwork | 0.108 | - | - |
---|
obs | 0.1093 | 46701 | 99.96 % |
---|
|
---|
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL |
---|
Displacement parameters | Biso max: 76.21 Å2 / Biso mean: 20.8992 Å2 / Biso min: 9 Å2 |
---|
Refinement step | Cycle: LAST / Resolution: 1.46→28.724 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
---|
Num. atoms | 1551 | 0 | 10 | 157 | 1718 |
---|
|
---|
Refine LS restraints | Refine-ID | Type | Dev ideal | Number |
---|
X-RAY DIFFRACTION | f_bond_d0.006 | 1826 | X-RAY DIFFRACTION | f_angle_d1.064 | 2493 | X-RAY DIFFRACTION | f_chiral_restr0.043 | 257 | X-RAY DIFFRACTION | f_plane_restr0.005 | 346 | X-RAY DIFFRACTION | f_dihedral_angle_d11.641 | 684 | | | | | |
|
---|
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 15 / % reflection obs: 100 % Resolution (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all |
---|
1.5003-1.5352 | 0.151 | 141 | 0.1103 | 2685 | 2826 | 1.5352-1.5736 | 0.1452 | 140 | 0.0968 | 2653 | 2793 | 1.5736-1.6162 | 0.1167 | 140 | 0.089 | 2677 | 2817 | 1.6162-1.6637 | 0.1303 | 142 | 0.0837 | 2677 | 2819 | 1.6637-1.7174 | 0.1156 | 141 | 0.0805 | 2685 | 2826 | 1.7174-1.7788 | 0.1098 | 141 | 0.0845 | 2676 | 2817 | 1.7788-1.85 | 0.1536 | 142 | 0.0865 | 2692 | 2834 | 1.85-1.9342 | 0.113 | 142 | 0.0891 | 2700 | 2842 | 1.9342-2.0361 | 0.1222 | 142 | 0.0897 | 2701 | 2843 | 2.0361-2.1636 | 0.1215 | 144 | 0.1 | 2731 | 2875 | 2.1636-2.3306 | 0.1357 | 144 | 0.108 | 2722 | 2866 | 2.3306-2.565 | 0.1487 | 143 | 0.1214 | 2747 | 2890 | 2.565-2.9359 | 0.152 | 147 | 0.1324 | 2770 | 2917 | 2.9359-3.6976 | 0.152 | 147 | 0.1188 | 2813 | 2960 | 3.6976-28.7064 | 0.1323 | 157 | 0.1066 | 2966 | 3123 |
|
---|