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1cax

DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT

Method: X-RAY DIFFRACTION D_max: 104.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cax
deposition_date	1993-06-10
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	33.74 Å
rg_electron	32.60 Å
i0	241415000.00
molecular_weight	124560.0 kDa
excluded_volume	155830 Å³
envelope_volume	191840 Å³
shell_volume	47575 Å³
envelope_diameter	103.5 Å
shell_rg	40.77 Å
envelope_rg	32.29 Å
shape_rg	32.59 Å
total_rg	33.24 Å
total_atoms	8790
n_residues	1095
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	104.6 Å
rg_real	33.63 Å
rg_real_error	0.50 Å
i0_real	2.4140e+08
i0_real_error	3.4260e+06
rg_reciprocal	33.70 Å
i0_reciprocal	241400000.0000
total_estimate	0.9095
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	37.8 Å
skewness	0.173
kurtosis	-0.639
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0001
highest_alpha	123400000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.966

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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	3

Polymer

type	polypeptide(L)
strand_id	A,C,E
atom_count	8790

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	3

Polymer

type	polypeptide(L)
strand_id	B,D,F

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	136.500 Å
length_b	150.300 Å
length_c	133.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.600 Å
resolution_low	8.000 Å
r_factor	0.1750
r_work	—
r_free	—

fit	/app/data/saxs_computation/ca/1cax/1cax.fit
pddf	/app/data/pr_computation/ca/1cax/1cax.pr.out
profile	/app/data/saxs_computation/ca/1cax/1cax.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)