ENDOGLUCANASE A (CELA) CATALYTIC CORE, RESIDUES 33-395

Method: X-RAY DIFFRACTION D_max: 58.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cem
deposition_date	1995-12-04
title	ENDOGLUCANASE A (CELA) CATALYTIC CORE, RESIDUES 33-395
keywords	GLYCOSYL HYDROLASE, GLYCOSYLTRANSFERASE, CELLULASE, FAMILY D/8 OF GLYCOSYL HYDROLASES, CLOSTRIDIUM THERMOCELLUM; GLYCOSYLTRANSFERASE
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	20.13 Å
rg_electron	18.79 Å
i0	28439500.00
molecular_weight	40281.0 kDa
excluded_volume	49808 Å³
envelope_volume	54720 Å³
shell_volume	23243 Å³
envelope_diameter	58.5 Å
shell_rg	26.25 Å
envelope_rg	18.96 Å
shape_rg	18.77 Å
total_rg	19.72 Å
total_atoms	2849
n_residues	363
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	58.4 Å
rg_real	19.96 Å
rg_real_error	0.22 Å
i0_real	2.8440e+07
i0_real_error	3.2070e+05
rg_reciprocal	19.99 Å
i0_reciprocal	28440000.0000
total_estimate	0.9088
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.7 Å
skewness	-0.010
kurtosis	-0.564
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	7868000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.949; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.995

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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	50.118 Å
length_b	63.518 Å
length_c	104.974 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.650 Å
resolution_low	10.000 Å
r_factor	0.1620
r_work	0.1620
r_free	0.1910

description	CELLULASE CELA (1,4-BETA-D-GLUCAN-GLUCANOHYDROLASE)
formula_weight	40345.3 kDa
ec_number	3.2.1.4
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	3115

ENDOGLUCANASE A (CELA) CATALYTIC CORE, RESIDUES 33-395

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 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Clostridium thermocellum
ncbi_taxonomy_id	1515
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	266

fit	/app/data/saxs_computation/ce/1cem/1cem.fit
pddf	/app/data/pr_computation/ce/1cem/1cem.pr.out
profile	/app/data/saxs_computation/ce/1cem/1cem.dat