9cfi

Human DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography

Method: X-RAY DIFFRACTION Dmax: 48.0 Å Quality: REASONABLE

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

Protein deglycase DJ-1

Homo sapiens

UniProt Q99497

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 1–189 Not recorded 4Y8 1-hydroxypropan-2-one × 2 X-RAY DIFFRACTION X-ray crystallization conditions:BATCH MODE;pH 7.5;293 K;100 mM HEPES pH=7.5, 200 mM NaCl, and 15% PEG 3350 Resolution 1.77 Å R-free 0.235

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.

87 other PDB entries and 97 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PARK7_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 4–192; UniProt 1–189

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 9cfi

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9cfi
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9cfi
Deposition date deposition_date2024-06-27
最后修订 last_revision2025-03-12
Structure title titleHuman DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography
Keywords keywordsglutathione-independent glyoxalase, mix-and-inject serial crystallgraphy, Laue diffraction, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier16.69
Radius of gyration Rg (electron density) rg_electron15.32
Forward intensity I(0) i07285470.00
Molecular weight molecular_weight19816.0 kDa
Excluded volume excluded_volume24969 ų
Envelope volume envelope_volume28382 ų
Hydration-shell volume shell_volume15291 ų
Envelope diameter envelope_diameter50.2
Shell Rg shell_rg21.56
Envelope Rg envelope_rg15.71
Shape Rg shape_rg15.31
Total Rg total_rg16.49
Total atoms total_atoms2827
Residues n_residues188
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 dmax48.0
Rg (real space) rg_real16.53
Rg uncertainty (real space) rg_real_error0.06
I(0) (real space) i0_real7.0280e+06
I(0) uncertainty (real space) i0_real_error6.0530e+04
Rg (reciprocal space) rg_reciprocal16.58
I(0) (reciprocal space) i0_reciprocal7286000.0000
Solution quality estimate total_estimate0.7310
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary21.8
Skewness Skewness skewness0.040
Kurtosis Kurtosis kurtosis-0.500
Angular range angular_range— – 0.4750 −1
Current regularization parameter α current_alpha12.0300
Highest regularization parameter α highest_alpha1522000.0000
Real-space data points n_real_points78
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.969; Stabil: 0.918; Sysdev: 0.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.878

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

8. Citations (1)

9. Files and Curves (10)