5fw3

Crystal structure of SpCas9 variant VRER bound to sgRNA and TGCG PAM target DNA

Method: X-RAY DIFFRACTION Dmax: 121.1 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1

STREPTOCOCCUS PYOGENES

UniProt Q99ZW2

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Monomer Protein × 1 DNA 2 RNA 1 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain B; UniProt 1–1368 Mutation:YES SGRNA × 1 TARGET DNA STRAND × 1 NON-TARGET DNA STRAND × 1 MG MAGNESIUM ION × 2 K POTASSIUM ION × 11 X-RAY DIFFRACTION X-ray crystallization conditions:pH 8.5;0.1 M TRIS PH 8.5 0.3M KSCN 15% (W/V) PEG 3400 Resolution 2.70 Å R-free 0.242

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

134 other PDB entries and 146 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CAS9_STRP1
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 5–1372; UniProt 1–1368

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 5fw3

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5fw3
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5fw3
Deposition date deposition_date2016-02-11
Structure title titleCrystal structure of SpCas9 variant VRER bound to sgRNA and TGCG PAM target DNA
Keywords keywordsHYDROLASE-DNA-RNA COMPLEX, CRISPR, CAS9, ENDONUCLEASE, PAM, GENOME EDITING, RNP, PROTEIN-RNA COMPLEX; HYDROLASE/DNA/RNA
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier37.88
Radius of gyration Rg (electron density) rg_electron37.74
Forward intensity I(0) i0688721000.00
Molecular weight molecular_weight192030.0 kDa
Excluded volume excluded_volume230970 ų
Envelope volume envelope_volume323320 ų
Hydration-shell volume shell_volume68684 ų
Envelope diameter envelope_diameter128.1
Shell Rg shell_rg45.87
Envelope Rg envelope_rg37.01
Shape Rg shape_rg37.77
Total Rg total_rg38.10
Total atoms total_atoms25689
Residues n_residues1442
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax121.1
Rg (real space) rg_real37.65
Rg uncertainty (real space) rg_real_error0.79
I(0) (real space) i0_real6.8870e+08
I(0) uncertainty (real space) i0_real_error1.1760e+07
Rg (reciprocal space) rg_reciprocal37.80
I(0) (reciprocal space) i0_reciprocal688800000.0000
Solution quality estimate total_estimate0.8923
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary46.1
Skewness Skewness skewness0.165
Kurtosis Kurtosis kurtosis-0.437
Angular range angular_range— – 0.2100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha75860000.0000
Real-space data points n_real_points43
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.884; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.969

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

8. Citations (1)

9. Files and Curves (10)