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1ep5

CRYSTAL STRUCTURE OF THE CONSERVED CORE DOMAIN OF VENEZUALAN EQUINE ENCEPHALITIS CAPSID PROTEIN

Method: X-RAY DIFFRACTION D_max: 100.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ep5
deposition_date	2000-03-27
title	CRYSTAL STRUCTURE OF THE CONSERVED CORE DOMAIN OF VENEZUALAN EQUINE ENCEPHALITIS CAPSID PROTEIN
keywords	BETA BARREL, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	30.65 Å
rg_electron	30.29 Å
i0	45438800.00
molecular_weight	51003.0 kDa
excluded_volume	63148 Å³
envelope_volume	85322 Å³
shell_volume	25796 Å³
envelope_diameter	105.6 Å
shell_rg	34.35 Å
envelope_rg	29.79 Å
shape_rg	30.30 Å
total_rg	30.67 Å
total_atoms	3587
n_residues	465
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	100.3 Å
rg_real	30.89 Å
rg_real_error	0.78 Å
i0_real	4.5440e+07
i0_real_error	7.1870e+05
rg_reciprocal	30.79 Å
i0_reciprocal	45440000.0000
total_estimate	0.8550
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.439
kurtosis	-0.546
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	11660000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.736; Smooth: 0.833

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CAPSID PROTEIN C
formula_weight	17492.9 kDa
ec_number	3.4.21.-
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	B,A,C
atom_count	3766

VMKLESDKTFPIMLEGKINGYACVVGGKLFRPMHVEGKIDNDVLAALKTKKASKYDLEYADVPQNMRADTFKYTHEKPQGYYSWHHGAVQYENGRFTVPKGVGAKGDSGRPILDNQGRVVAIVLGGVNEGSRTALSVVMWNEKGVTVKYTPENCEQW

Source

organism	Venezuelan equine encephalitis virus
ncbi_taxonomy_id	11036
host_organism	Escherichia coli

Entity 2 non-polymer

description	UREA
formula_weight	60.1 kDa
src_method	syn
entity_count	7

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	179

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6. Citations (1)

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length_a	69.330 Å
length_b	75.180 Å
length_c	94.660 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.300 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.2280
r_free	0.2630

fit	/app/data/saxs_computation/ep/1ep5/1ep5.fit
pddf	/app/data/pr_computation/ep/1ep5/1ep5.pr.out
profile	/app/data/saxs_computation/ep/1ep5/1ep5.dat

CRYSTAL STRUCTURE OF THE CONSERVED CORE DOMAIN OF VENEZUALAN EQUINE ENCEPHALITIS CAPSID PROTEIN

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction