4cmp

Crystal structure of S. pyogenes Cas9

Method: X-RAY DIFFRACTION Dmax: 181.8 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 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 1–1368 Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:pH 8.5;0.1 M TRIS PH 8.5, 0.3 M LITHIUM SULFATE, 15% PEG 3350 Resolution 2.62 Å R-free 0.286
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 1–1368 Not recorded SO4 SULFATE ION × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:pH 8.5;0.1 M TRIS PH 8.5, 0.3 M LITHIUM SULFATE, 15% PEG 3350 Resolution 2.62 Å R-free 0.286

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 145 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CAS9_STRP1
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 5–1372; UniProt 1–1368 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 4cmp

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4cmp
Deposition date deposition_date2014-01-16
Structure title titleCrystal structure of S. pyogenes Cas9
Keywords keywordsHYDROLASE, DNASE, RNA-GUIDED, IMMUNITY, CRRNA, GENOME EDITING; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier58.33
Radius of gyration Rg (electron density) rg_electron59.09
Forward intensity I(0) i0977386000.00
Molecular weight molecular_weight267710.0 kDa
Excluded volume excluded_volume338530 ų
Envelope volume envelope_volume535390 ų
Hydration-shell volume shell_volume80915 ų
Envelope diameter envelope_diameter196.2
Shell Rg shell_rg54.20
Envelope Rg envelope_rg57.37
Shape Rg shape_rg59.10
Total Rg total_rg58.90
Total atoms total_atoms38082
Residues n_residues2310
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 dmax181.8
Rg (real space) rg_real58.89
Rg uncertainty (real space) rg_real_error1.82
I(0) (real space) i0_real9.7740e+08
I(0) uncertainty (real space) i0_real_error1.9150e+07
Rg (reciprocal space) rg_reciprocal57.83
I(0) (reciprocal space) i0_reciprocal975800000.0000
Solution quality estimate total_estimate0.8137
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary53.9
Skewness Skewness skewness0.515
Kurtosis Kurtosis kurtosis-0.479
Angular range angular_range— – 0.1350 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha89100000.0000
Real-space data points n_real_points28
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.913; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (8 domains)

Domain ID domain_idd4cmpa1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.3 — Ribonuclease H-like
Family Family familyc.55.3.16 — RuvC-like domain from CRISPR-associated protein Cas9
Domain ID domain_idd4cmpa2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.4 — His-Me finger endonucleases
Superfamily Superfamily superfamilyd.4.1 — His-Me finger endonucleases
Family Family familyd.4.1.8 — HNH domain from CRISPR-associated protein Cas9
Domain ID domain_idd4cmpa3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.393 — CRISPR-associated endonuclease Cas9/Csn1, Target recognition (REC) lobe
Superfamily Superfamily superfamilyd.393.1 — CRISPR-associated endonuclease Cas9/Csn1, Target recognition (REC) lobe
Family Family familyd.393.1.1 — CRISPR-associated endonuclease Cas9/Csn1, Target recognition (REC) lobe
Domain ID domain_idd4cmpa4
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.80 — CRISPR-associated endonuclease Cas9/Csn1, Protospace-adjacent motif (PAM)-interacting domain
Superfamily Superfamily superfamilye.80.1 — CRISPR-associated endonuclease Cas9/Csn1, PAM-interacting (PI) domain
Family Family familye.80.1.1 — CRISPR-associated endonuclease Cas9/Csn1, PAM-interacting (PI) domain
Domain ID domain_idd4cmpb1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.3 — Ribonuclease H-like
Family Family familyc.55.3.16 — RuvC-like domain from CRISPR-associated protein Cas9
Domain ID domain_idd4cmpb2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.393 — CRISPR-associated endonuclease Cas9/Csn1, Target recognition (REC) lobe
Superfamily Superfamily superfamilyd.393.1 — CRISPR-associated endonuclease Cas9/Csn1, Target recognition (REC) lobe
Family Family familyd.393.1.1 — CRISPR-associated endonuclease Cas9/Csn1, Target recognition (REC) lobe
Domain ID domain_idd4cmpb3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.4 — His-Me finger endonucleases
Superfamily Superfamily superfamilyd.4.1 — His-Me finger endonucleases
Family Family familyd.4.1.8 — HNH domain from CRISPR-associated protein Cas9
Domain ID domain_idd4cmpb4
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.80 — CRISPR-associated endonuclease Cas9/Csn1, Protospace-adjacent motif (PAM)-interacting domain
Superfamily Superfamily superfamilye.80.1 — CRISPR-associated endonuclease Cas9/Csn1, PAM-interacting (PI) domain
Family Family familye.80.1.1 — CRISPR-associated endonuclease Cas9/Csn1, PAM-interacting (PI) domain

8. Citations (1)

9. Files and Curves (10)