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1cb2

CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F

Method: X-RAY DIFFRACTION D_max: 125.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cb2
deposition_date	1995-11-25
title	CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F
keywords	HYDROLASE (O-GLYCOSYL), GLYCOSIDASE, GLYCOPROTEIN; HYDROLASE (O-GLYCOSYL)
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	39.06 Å
rg_electron	38.92 Å
i0	99698600.00
molecular_weight	80828.0 kDa
excluded_volume	100620 Å³
envelope_volume	133080 Å³
shell_volume	27782 Å³
envelope_diameter	125.1 Å
shell_rg	46.43 Å
envelope_rg	37.67 Å
shape_rg	38.90 Å
total_rg	39.41 Å
total_atoms	5702
n_residues	726
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	125.8 Å
rg_real	39.41 Å
rg_real_error	1.50 Å
i0_real	9.9700e+07
i0_real_error	2.1620e+06
rg_reciprocal	39.21 Å
i0_reciprocal	99680000.0000
total_estimate	0.6601
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	28.3 Å
skewness	0.228
kurtosis	-1.189
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	58570000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.087; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.393; Smooth: 0.922

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CELLOBIOHYDROLASE II
formula_weight	39039.3 kDa
ec_number	3.2.1.91
mutation	Y169F
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6094

SGTATYSGNPFVGVTPWANAYYASEVSSLAIPSLTGAMATAAAAVAKVPSFMWLDTLDKTPLMEQTLADIRTANKNGGNYAGQFVVFDLPDRDCAALASNGEYSIADGGVAKYKNYIDTIRQIVVEYSDIRTLLVIEPDSLANLVTNLGTPKCANAQSAYLECINYAVTQLNLPNVAMYLDAGHAGWLGWPANQDPAAQLFANVYKNASSPRALRGLATNVANYNGWNITSPPSYTQGNAVYNEKLYIHAIGPLLANHGWSNAFFITDQGRSGKQPTGQQQWGDWCNVIGTGFGIRPSANTGDSLLDSFVWVKPGGECDGTSDSSAPRFDSHCALPDALQPAPQAGAWFQAYFVQLLTNANPSFL

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	4

Entity 3 non-polymer

description	alpha-D-mannopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	14

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	392

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6. Citations (2)

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length_a	49.100 Å
length_b	75.800 Å
length_c	92.900 Å
angle_alpha	90.00 °
angle_beta	103.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	8.000 Å
r_factor	0.2100
r_work	0.2100
r_free	0.2320

fit	/app/data/saxs_computation/cb/1cb2/1cb2.fit
pddf	/app/data/pr_computation/cb/1cb2/1cb2.pr.out
profile	/app/data/saxs_computation/cb/1cb2/1cb2.dat