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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. |
From original header | |||||||
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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 |
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 |