7qqo

SpCas9 bound to AAVS1 off-target1 DNA substrate

Method: X-RAY DIFFRACTION Dmax: 120.6 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:D10A, H840A AAVS1 sgRNA × 1 AAVS1 off-target1 target strand × 1 AAVS1 off-target1 non-target strand × 1 MG MAGNESIUM ION × 2 K POTASSIUM ION × 12 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8.5;293.15 K;0.1 M Tris-acetate pH 8.5, 0.3-0.5 M KSCN, 17-19% PEG3350 Resolution 3.00 Å R-free 0.247

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 1–1368; 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 7qqo

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7qqo
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7qqo
Deposition date deposition_date2022-01-10
Structure title titleSpCas9 bound to AAVS1 off-target1 DNA substrate
Keywords keywordscrispr, cas9, off-target, ternary complex, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier37.95
Radius of gyration Rg (electron density) rg_electron37.74
Forward intensity I(0) i0696611000.00
Molecular weight molecular_weight192700.0 kDa
Excluded volume excluded_volume231580 ų
Envelope volume envelope_volume328000 ų
Hydration-shell volume shell_volume69565 ų
Envelope diameter envelope_diameter129.9
Shell Rg shell_rg46.07
Envelope Rg envelope_rg37.01
Shape Rg shape_rg37.76
Total Rg total_rg38.12
Total atoms total_atoms13405
Residues n_residues1449
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 dmax120.6
Rg (real space) rg_real37.72
Rg uncertainty (real space) rg_real_error0.80
I(0) (real space) i0_real6.9660e+08
I(0) uncertainty (real space) i0_real_error1.1510e+07
Rg (reciprocal space) rg_reciprocal37.87
I(0) (reciprocal space) i0_reciprocal696700000.0000
Solution quality estimate total_estimate0.8934
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary48.8
Skewness Skewness skewness0.157
Kurtosis Kurtosis kurtosis-0.448
Angular range angular_range— – 0.2100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha81010000.0000
Real-space data points n_real_points43
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.962

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

8. Citations (1)

9. Files and Curves (10)