4un4

Crystal structure of Cas9 bound to PAM-containing DNA target with mismatches at positions 1-2

Method: X-RAY DIFFRACTION Dmax: 120.7 Å Quality: REASONABLE

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 3 RNA 1 PDB declaration: pentameric(5) Consistent with all polymer counts Chain B; UniProt 1–1368 Mutation:YES SGRNA × 1 TARGET DNA STRAND PROXIMAL FRAGMENT × 1 NON-TARGET DNA STRAND × 1 TARGET DNA STRAND DISTAL FRAGMENT × 1 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION X-ray crystallization conditions:pH 8.5;0.1 M TRIS-ACETATE, PH 8.5, 0.3 M KSCN, 15% (W/V) PEG 3350 Resolution 2.37 Å R-free 0.248

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 4un4

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4un4
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4un4
Deposition date deposition_date2014-05-25
Structure title titleCrystal structure of Cas9 bound to PAM-containing DNA target with mismatches at positions 1-2
Keywords keywordsHYDROLASE-DNA-RNA COMPLEX, 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_guinier37.76
Radius of gyration Rg (electron density) rg_electron37.58
Forward intensity I(0) i0682465000.00
Molecular weight molecular_weight189860.0 kDa
Excluded volume excluded_volume227890 ų
Envelope volume envelope_volume319680 ų
Hydration-shell volume shell_volume68250 ų
Envelope diameter envelope_diameter129.1
Shell Rg shell_rg45.79
Envelope Rg envelope_rg36.85
Shape Rg shape_rg37.60
Total Rg total_rg37.97
Total atoms total_atoms13227
Residues n_residues1430
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 dmax120.7
Rg (real space) rg_real37.53
Rg uncertainty (real space) rg_real_error0.77
I(0) (real space) i0_real6.8250e+08
I(0) uncertainty (real space) i0_real_error1.0500e+07
Rg (reciprocal space) rg_reciprocal37.68
I(0) (reciprocal space) i0_reciprocal682600000.0000
Solution quality estimate total_estimate0.6798
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary117.8
Skewness Skewness skewness0.160
Kurtosis Kurtosis kurtosis-0.444
Angular range angular_range— – 0.2100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha75230000.0000
Real-space data points n_real_points43
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.886; Stabil: 1.000; Sysdev: 0.080; Positv: 1.000; Valcen: 0.974; Smooth: 0.961

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

8. Citations (1)

9. Files and Curves (10)