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1caw

DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT

Method: X-RAY DIFFRACTION D_max: 95.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1caw
deposition_date	1993-06-02
title	DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT
keywords	SEED STORAGE PROTEIN; SEED STORAGE PROTEIN
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	25.29 Å
rg_electron	24.39 Å
i0	29657500.00
molecular_weight	41521.0 kDa
excluded_volume	51945 Å³
envelope_volume	67278 Å³
shell_volume	24383 Å³
envelope_diameter	97.6 Å
shell_rg	29.95 Å
envelope_rg	25.04 Å
shape_rg	24.41 Å
total_rg	25.02 Å
total_atoms	2930
n_residues	365
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	95.2 Å
rg_real	25.46 Å
rg_real_error	0.76 Å
i0_real	2.9660e+07
i0_real_error	4.1970e+05
rg_reciprocal	25.41 Å
i0_reciprocal	29660000.0000
total_estimate	0.7908
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	28.7 Å
skewness	0.660
kurtosis	0.423
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0002
highest_alpha	2936000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.513; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.763; Smooth: 0.976

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	CANAVALIN
formula_weight	20968.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2930

AQNNPYLFRSNKFLTLFKNQHGSLRLLQRFNEDTEKLENLRDYRVLEYCSKPNTLLLPHHSDSDLLVLVLEGQAILVLVNPDGRDTYKLDQGDAIKIQAGTPFYLINPDNNQNLRILKFAITFRRPGTVEDFFLSSTKRLPSYLSAFSKNFLEASYDSPYDEIEQTLLQEEQEGVIVKMPK

Source

organism	Canavalia ensiformis
common_name	jack bean
ncbi_taxonomy_id	3823

Entity 2 polymer

description	CANAVALIN
formula_weight	20641.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

TLSSQDKPFNLRSRDPIYSNNYGKLYEITPEKNSQLRDLDILLNCLQMNEGALFVPHYNSRATVILVANEGRAEVELVGLEQQQQQGLESMQLRRYAATLSEGDIIVIPSSFPVALKAASDLNMVGIGVNAENNERNFLAGHKENVIRQIPRQVSDLTFPGSGEEVEELLENQKESYFVDGQPR

Source

organism	Canavalia ensiformis
common_name	jack bean
ncbi_taxonomy_id	3823

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6. Citations (2)

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length_a	136.800 Å
length_b	136.800 Å
length_c	75.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

space_group	H 3
int_tables_number	146
crystal_system	—

resolution	2.600 Å
resolution_low	8.000 Å
r_factor	0.1940
r_work	—
r_free	—

fit	/app/data/saxs_computation/ca/1caw/1caw.fit
pddf	/app/data/pr_computation/ca/1caw/1caw.pr.out
profile	/app/data/saxs_computation/ca/1caw/1caw.dat

DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)