CO-CRYSTALS OF DEMETALLIZED CONCANAVALIN A WITH ZINC HAVING A ZINC ION BOUND IN THE S1 SITE

Method: X-RAY DIFFRACTION D_max: 85.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1enq
deposition_date	1996-03-20
title	CO-CRYSTALS OF DEMETALLIZED CONCANAVALIN A WITH ZINC HAVING A ZINC ION BOUND IN THE S1 SITE
keywords	CONCANAVALIN A, ZINC, PLANT LECTIN, AGGLUTININ, PLANT LECTIN (AGGLUTININ); PLANT LECTIN (AGGLUTININ)
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	29.55 Å
rg_electron	28.18 Å
i0	157924000.00
molecular_weight	99771.0 kDa
excluded_volume	124640 Å³
envelope_volume	147520 Å³
shell_volume	42299 Å³
envelope_diameter	89.6 Å
shell_rg	36.79 Å
envelope_rg	28.16 Å
shape_rg	28.14 Å
total_rg	29.06 Å
total_atoms	7040
n_residues	921
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	85.0 Å
rg_real	29.34 Å
rg_real_error	0.53 Å
i0_real	1.5790e+08
i0_real_error	2.4340e+06
rg_reciprocal	29.43 Å
i0_reciprocal	157900000.0000
total_estimate	0.9131
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	39.3 Å
skewness	0.015
kurtosis	-0.673
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	29170000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.979; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.947

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	67.230 Å
length_b	113.030 Å
length_c	122.140 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	10.000 Å
r_factor	0.1980
r_work	0.1980
r_free	0.2840

description	CONCANAVALIN A
formula_weight	25622.4 kDa
src_method	nat
entity_count	4

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7335

CO-CRYSTALS OF DEMETALLIZED CONCANAVALIN A WITH ZINC HAVING A ZINC ION BOUND IN THE S1 SITE

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	295

fit	/app/data/saxs_computation/en/1enq/1enq.fit
pddf	/app/data/pr_computation/en/1enq/1enq.pr.out
profile	/app/data/saxs_computation/en/1enq/1enq.dat