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| CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH SOFOSBUVIR DIPHOSPHATE GS-607596, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU |
| This entry was created with PDB-REDO version 8.01 using the deposited PDB model version 1.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 65 | a: 140.440 Å | b: 140.440 Å | c: 91.620 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
| Resolution | 2.90 Å | Reflections | 22607 | Test set | 1074 (4.8%) | ||
| R | 0.1790 | R-free | 0.2320 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.90 Å | Reflections | 22607 | Test set | 1074 (4.8%) | ||
| Twin | false | Radiation damage | N/A | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1802 | 0.1998 |
| R-free | 0.2319 | 0.2346 |
| Bond length RMS Z-score | 0.498 | 0.459 |
| Bond angle RMS Z-score | 0.730 | 0.805 |
| Model quality | ||
| Ramachandran plot normality | -4.625 6 | -4.049 9 |
| Rotamer normality | -4.323 22 | -3.584 31 |
| Coarse packing | -0.085 57 | 0.078 66 |
| Fine packing | -2.374 7 | -1.338 39 |
| Dinucleotide conformation (CONFAL) | 64.0 86 | 68.2 91 |
| Base pair conformation | 4.3 6 | 3.6 11 |
| Bump severity | 0.017 44 | 0.098 10 |
| Hydrogen bond satisfaction | 0.875 25 | 0.823 8 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 4 |
| Side chains flipped | 24 |
| Waters removed | 8 |
| Peptides flipped | 8 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 21 |