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1a39

HUMICOLA INSOLENS ENDOCELLULASE EGI S37W, P39W DOUBLE-MUTANT

Method: X-RAY DIFFRACTION D_max: 72.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a39
deposition_date	1998-01-28
title	HUMICOLA INSOLENS ENDOCELLULASE EGI S37W, P39W DOUBLE-MUTANT
keywords	ENDOGLUCANASE, HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, GLYCOSIDE HYDROLASE FAMILY 7, GLYCOSYLATED PROTEIN; 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	21.86 Å
rg_electron	20.82 Å
i0	36281100.00
molecular_weight	44944.0 kDa
excluded_volume	55466 Å³
envelope_volume	63339 Å³
shell_volume	24706 Å³
envelope_diameter	74.8 Å
shell_rg	28.26 Å
envelope_rg	21.27 Å
shape_rg	20.81 Å
total_rg	21.74 Å
total_atoms	3152
n_residues	401
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	72.8 Å
rg_real	21.74 Å
rg_real_error	0.46 Å
i0_real	3.6280e+07
i0_real_error	4.9260e+05
rg_reciprocal	21.76 Å
i0_reciprocal	36280000.0000
total_estimate	0.8721
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.2 Å
skewness	0.222
kurtosis	-0.248
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	7578000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.789; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.965

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ENDOGLUCANASE I
formula_weight	44798.4 kDa
ec_number	3.2.1.4
mutation	S37W, P39W
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3479

QKPGETKEVHPQLTTFRCTKRGGCKPATNFIVLDSLWHWIHRAEGLGPGGCGDWGNPPPKDVCPDVESCAKNCIMEGIPDYSQYGVTTNGTSLRLQHILPDGRVPSPRVYLLDKTKRRYEMLHLTGFEFTFDVDATKLPCGMNSALYLSEMHPTGAKSKYNPGGAYYGTGYCDAQCFVTPFINGLGNIEGKGSCCNEMDIWEANSRASHVAPHTCNKKGLYLCEGEECAFEGVCDKNGCGWNNYRVNVTDYYGRGEEFKVNTLKPFTVVTQFLANRRGKLEKIHRFYVQDGKVIESFYTNKEGVPYTNMIDDEFCEATGSRKYMELGATQGMGEALTRGMVLAMSIWWDQGGNMEWLDHGEAGPCAKGEGAPSNIVQVEPFPEVTYTNLRWGEIGSTYQELQ

Source

organism	Humicola insolens
ncbi_taxonomy_id	34413
host_organism	Aspergillus oryzae

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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	327

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6. Citations (1)

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length_a	50.960 Å
length_b	81.400 Å
length_c	94.770 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	2.200 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1700
r_free	0.2600

fit	/app/data/saxs_computation/a3/1a39/1a39.fit
pddf	/app/data/pr_computation/a3/1a39/1a39.pr.out
profile	/app/data/saxs_computation/a3/1a39/1a39.dat

HUMICOLA INSOLENS ENDOCELLULASE EGI S37W, P39W DOUBLE-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