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| Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0022538-001 |
| This entry was created with PDB-REDO version 8.16 using the deposited PDB model version 1.0 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 43 2 2 | a: 42.424 Å | b: 42.424 Å | c: 217.421 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 1.96 Å | Reflections | 15055 | Test set | 716 (4.8%) | ||
| R | 0.2539 | R-free | 0.2891 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.96 Å | Reflections | 15055 | Test set | 716 (4.8%) | ||
| Twin | false | Radiation damage | 28 | ||||
| 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 | 0.2407 | 0.2350 |
| R-free | 0.2719 | 0.2669 |
| Bond length RMS Z-score | 0.814 | 0.295 |
| Bond angle RMS Z-score | 0.771 | 0.524 |
| Model quality | ||
| Ramachandran plot normality | -1.975 32 | -2.217 27 |
| Rotamer normality | -4.344 15 | -2.976 33 |
| Coarse packing | -1.472 5 | -1.511 4 |
| Fine packing | 0.007 83 | 0.037 83 |
| MolProbity Clashscore | 1.650 0 | 1.320 0 |
| Hydrogen bond satisfaction | 0.912 66 | 0.910 64 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 0 |
| Side chains built | 0 |
| Waters removed | 0 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |