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: 1.52→28.687 Å / SU ML: 0.08 / σ(F): 1.34 / Phase error: 9.96 / Stereochemistry target values: ML
| Rfactor | Num. reflection | % reflection |
---|
Rfree | 0.1288 | 2069 | 5 % |
---|
Rwork | 0.0996 | - | - |
---|
obs | 0.101 | 41377 | 99.91 % |
---|
|
---|
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL |
---|
Displacement parameters | Biso max: 79.05 Å2 / Biso mean: 21.4712 Å2 / Biso min: 9.75 Å2 |
---|
Refinement step | Cycle: LAST / Resolution: 1.52→28.687 Å
| Protein | Nucleic acid | Ligand | Solvent | Total |
---|
Num. atoms | 1551 | 0 | 10 | 159 | 1720 |
---|
|
---|
Refine LS restraints | Refine-ID | Type | Dev ideal | Number |
---|
X-RAY DIFFRACTION | f_bond_d0.007 | 1826 | X-RAY DIFFRACTION | f_angle_d1.11 | 2493 | X-RAY DIFFRACTION | f_chiral_restr0.046 | 257 | X-RAY DIFFRACTION | f_plane_restr0.005 | 346 | X-RAY DIFFRACTION | f_dihedral_angle_d12.209 | 684 | | | | | |
|
---|
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 15 Resolution (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all | % reflection obs (%) |
---|
1.5201-1.5555 | 0.1389 | 136 | 0.0951 | 2570 | 2706 | 99 | 1.5555-1.5943 | 0.133 | 134 | 0.0885 | 2556 | 2690 | 100 | 1.5943-1.6375 | 0.1166 | 135 | 0.0781 | 2562 | 2697 | 100 | 1.6375-1.6856 | 0.1065 | 135 | 0.0737 | 2573 | 2708 | 100 | 1.6856-1.74 | 0.1221 | 136 | 0.0695 | 2578 | 2714 | 100 | 1.74-1.8022 | 0.1215 | 136 | 0.077 | 2586 | 2722 | 100 | 1.8022-1.8744 | 0.1309 | 136 | 0.0768 | 2579 | 2715 | 100 | 1.8744-1.9596 | 0.1183 | 137 | 0.0698 | 2610 | 2747 | 100 | 1.9596-2.0629 | 0.0985 | 137 | 0.0761 | 2594 | 2731 | 100 | 2.0629-2.1921 | 0.1258 | 137 | 0.0892 | 2608 | 2745 | 100 | 2.1921-2.3613 | 0.1274 | 138 | 0.104 | 2635 | 2773 | 100 | 2.3613-2.5988 | 0.1403 | 138 | 0.1194 | 2626 | 2764 | 100 | 2.5988-2.9745 | 0.1511 | 141 | 0.1283 | 2663 | 2804 | 100 | 2.9745-3.7463 | 0.1284 | 142 | 0.1108 | 2698 | 2840 | 100 | 3.7463-28.6921 | 0.1297 | 151 | 0.1036 | 2870 | 3021 | 100 |
|
---|