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1egn

CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT

Method: X-RAY DIFFRACTION D_max: 67.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1egn
deposition_date	2000-02-16
title	CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT
keywords	HYDROLASE, GLYCOSIDASE, CELLULASE, CELLULOSE DEGRADATION, GLYCOPROTEIN, GLYCOSYLATED PROTEIN, PH-MUTANT; HYDROLASE
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	21.64 Å
rg_electron	20.46 Å
i0	41796700.00
molecular_weight	46267.0 kDa
excluded_volume	56055 Å³
envelope_volume	64199 Å³
shell_volume	25421 Å³
envelope_diameter	69.6 Å
shell_rg	27.88 Å
envelope_rg	20.64 Å
shape_rg	20.42 Å
total_rg	21.37 Å
total_atoms	3235
n_residues	433
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	67.6 Å
rg_real	21.49 Å
rg_real_error	0.35 Å
i0_real	4.1800e+07
i0_real_error	5.2700e+05
rg_reciprocal	21.52 Å
i0_reciprocal	41800000.0000
total_estimate	0.8959
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.152
kurtosis	-0.401
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	7431000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.890; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE CEL7A
formula_weight	45991.7 kDa
ec_number	3.2.1.91
mutation	E223S, A224H, L225V, T226A, D262G
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3589

QSACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNCYDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIDFVTQSAQKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMDADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNANTGIGGHGSCCSEMDIWEANSISSHVAPHPCTTVGQEICEGDGCGGTYSDNRYGGTCDPDGCGWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAINRYYVQNGVTFQQPNAELGSYSGNELNDDYCTAEEAEFGGSSFSDKGGLTQFKKATSGGMVLVMSLWDDYYANMLWLDSTYPTNETSSTPGAVRGSCSTSSGVPAQVESQSPNAKVTFSNIKFGPIGSTGNPSG

Source

organism	Hypocrea jecorina
ncbi_taxonomy_id	51453
host_organism	Hypocrea jecorina

Entity 2 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	354

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6. Citations (4)

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length_a	83.110 Å
length_b	83.340 Å
length_c	110.610 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	1.600 Å
resolution_low	20.000 Å
r_factor	0.2400
r_work	0.2400
r_free	0.2700

fit	/app/data/saxs_computation/eg/1egn/1egn.fit
pddf	/app/data/pr_computation/eg/1egn/1egn.pr.out
profile	/app/data/saxs_computation/eg/1egn/1egn.dat

CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT

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