X-RAY crystal structure of neuronal SEC1 from squid

Method: X-RAY DIFFRACTION D_max: 86.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1epu
deposition_date	2000-03-29
title	X-RAY crystal structure of neuronal SEC1 from squid
keywords	PARALLEL BETA-SHEETS, LEFT-HAND TURN CONNECTION, HELICAL BUNDLE, ENDOCYTOSIS-EXOCYTOSIS COMPLEX; ENDOCYTOSIS/EXOCYTOSIS
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	26.86 Å
rg_electron	26.06 Å
i0	68886500.00
molecular_weight	63741.0 kDa
excluded_volume	79011 Å³
envelope_volume	97153 Å³
shell_volume	31012 Å³
envelope_diameter	94.9 Å
shell_rg	33.28 Å
envelope_rg	26.74 Å
shape_rg	26.05 Å
total_rg	26.81 Å
total_atoms	4412
n_residues	527
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	86.7 Å
rg_real	26.82 Å
rg_real_error	0.69 Å
i0_real	6.8890e+07
i0_real_error	1.0850e+06
rg_reciprocal	26.83 Å
i0_reciprocal	68890000.0000
total_estimate	0.8220
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.8 Å
skewness	0.299
kurtosis	-0.398
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	12450000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.898; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	49.063 Å
length_b	121.989 Å
length_c	69.046 Å
angle_alpha	90.00 °
angle_beta	104.53 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.400 Å
resolution_low	25.000 Å
r_factor	0.2508
r_work	0.2400
r_free	0.2770

description	S-SEC1
formula_weight	68815.5 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	4481

X-RAY crystal structure of neuronal SEC1 from squid

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Loligo pealei
ncbi_taxonomy_id	6621
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	69

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