6aeb

Crystal structure of xCas9 in complex with sgRNA and target DNA (AAG PAM)

Method: X-RAY DIFFRACTION Dmax: 200.6 Å Quality: GOOD

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

DNA Nuclease

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, A263T, R324L, S409I, E480K, E543D, M694I, H840A, E1219V RNA (95-MER) × 1 DNA (25-MER) × 1 ;DNA (5'-D(*AP*AP*AP*AP*AP*GP*TP*AP*TP*TP*G)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.1M Hepes, PH 7.5, 0.2M Ammonium sulfate, 10% ispropanol, and 16% (w/v) PEG4000 Resolution 3.00 Å R-free 0.283
2 Other combination Monomer Protein × 1 DNA 2 RNA 1 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain F; UniProt 1–1368 Mutation:D10A, A263T, R324L, S409I, E480K, E543D, M694I, H840A, E1219V RNA (95-MER) × 1 DNA (25-MER) × 1 ;DNA (5'-D(*AP*AP*AP*AP*AP*GP*TP*AP*TP*TP*G)-3') ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.1M Hepes, PH 7.5, 0.2M Ammonium sulfate, 10% ispropanol, and 16% (w/v) PEG4000 Resolution 3.00 Å R-free 0.283

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 4
Chains and sequence ranges Author chain B; PDBConstruct 1–1368; UniProt 1–1368 Author chain F; 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 6aeb

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6aeb
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6aeb
Deposition date deposition_date2018-08-04
Structure title titleCrystal structure of xCas9 in complex with sgRNA and target DNA (AAG PAM)
Keywords keywordsenzyme, DNA BINDING PROTEIN-RNA complex; DNA BINDING PROTEIN/RNA
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier62.17
Radius of gyration Rg (electron density) rg_electron62.06
Forward intensity I(0) i02640600000.00
Molecular weight molecular_weight378260.0 kDa
Excluded volume excluded_volume451080 ų
Envelope volume envelope_volume729500 ų
Hydration-shell volume shell_volume101730 ų
Envelope diameter envelope_diameter227.8
Shell Rg shell_rg60.04
Envelope Rg envelope_rg60.07
Shape Rg shape_rg62.03
Total Rg total_rg62.11
Total atoms total_atoms26350
Residues n_residues2906
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 dmax200.6
Rg (real space) rg_real62.69
Rg uncertainty (real space) rg_real_error1.72
I(0) (real space) i0_real2.6390e+09
I(0) uncertainty (real space) i0_real_error5.1620e+07
Rg (reciprocal space) rg_reciprocal61.60
I(0) (reciprocal space) i0_reciprocal2635000000.0000
Solution quality estimate total_estimate0.8134
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary56.2
Skewness Skewness skewness0.494
Kurtosis Kurtosis kurtosis-0.461
Angular range angular_range— – 0.1250 −1
Current regularization parameter α current_alpha0.0014
Highest regularization parameter α highest_alpha224100000.0000
Real-space data points n_real_points26
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.825; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.113

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)