4kd3

Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/V66A/I92A at cryogenic temperature

Method: X-RAY DIFFRACTION Dmax: 50.5 Å Quality: GOOD

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

Thermonuclease

Staphylococcus aureus

UniProt P00644

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 83–231 Fragment:Nuclease A (UNP residues 83-231) Mutation:L25A,G50F,V51N,V66A,I92A,P117G,H124L,S128A,del(44-49) CA CALCIUM ION × 1 THP THYMIDINE-3',5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;277 K;20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP Resolution 1.75 Å R-free 0.219

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.

298 other PDB entries and 310 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NUC_STAAU
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–143; UniProt 83–231

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 4kd3

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4kd3
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4kd3
Deposition date deposition_date2013-04-24
Structure title titleCrystal structure of Staphylococcal nuclease variant Delta+PHS L25A/V66A/I92A at cryogenic temperature
Keywords keywordsStaphylococcal nuclease, hyperstable variant, pdtp, cavity, pressure, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier15.06
Radius of gyration Rg (electron density) rg_electron14.01
Forward intensity I(0) i04435770.00
Molecular weight molecular_weight15002.0 kDa
Excluded volume excluded_volume18807 ų
Envelope volume envelope_volume20678 ų
Hydration-shell volume shell_volume12513 ų
Envelope diameter envelope_diameter50.2
Shell Rg shell_rg19.76
Envelope Rg envelope_rg14.32
Shape Rg shape_rg13.98
Total Rg total_rg15.26
Total atoms total_atoms1051
Residues n_residues129
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 dmax50.5
Rg (real space) rg_real14.95
Rg uncertainty (real space) rg_real_error0.28
I(0) (real space) i0_real4.4360e+06
I(0) uncertainty (real space) i0_real_error5.1660e+04
Rg (reciprocal space) rg_reciprocal14.96
I(0) (reciprocal space) i0_reciprocal4436000.0000
Solution quality estimate total_estimate0.8703
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary19.8
Skewness Skewness skewness0.131
Kurtosis Kurtosis kurtosis-0.332
Angular range angular_range— – 0.5000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha995200.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.772; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.994

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd4kd3a_
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.1 — Staphylococcal nuclease
Family Family familyb.40.1.1 — Staphylococcal nuclease

CATH v4.4 (1 domains)

Domain ID domain_id4kd3A00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily90

8. Citations (1)

9. Files and Curves (10)