SAXSdb — 1ex1

▼

1. Structure Basics

entry_id	1ex1
deposition_date	1998-11-10
title	BETA-D-GLUCAN EXOHYDROLASE FROM BARLEY
keywords	HYDROLASE, CELL WALL DEGRADATION; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	25.49 Å
rg_electron	24.88 Å
i0	71524600.00
molecular_weight	66418.0 kDa
excluded_volume	83208 Å³
envelope_volume	94564 Å³
shell_volume	31410 Å³
envelope_diameter	93.4 Å
shell_rg	32.64 Å
envelope_rg	25.28 Å
shape_rg	24.87 Å
total_rg	25.71 Å
total_atoms	4665
n_residues	602
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

▼

3. P(r) Analysis (GNOM)

dmax	90.3 Å
rg_real	26.55 Å
rg_real_error	0.29 Å
i0_real	7.1570e+07
i0_real_error	9.5300e+05
rg_reciprocal	25.50 Å
i0_reciprocal	71520000.0000
total_estimate	0.6499
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	29.1 Å
skewness	0.594
kurtosis	0.138
angular_range	— – 0.3100 Å⁻¹
current_alpha	4.0800
highest_alpha	21580000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.718; Stabil: 0.895; Sysdev: 0.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.673

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (BETA-D-GLUCAN EXOHYDROLASE ISOENZYME EXO1)
formula_weight	65475.6 kDa
ec_number	3.2.1.58
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4885

DYVLYKDATKPVEDRVADLLGRMTLAEKIGQMTQIERLVATPDVLRDNFIGSLLSGGGSVPRKGATAKEWQDMVDGFQKACMSTRLGIPMIYGIDAVHGQNNVYGATIFPHNVGLGATRDPYLVKRIGEATALEVRATGIQYAFAPCIAVCRDPRWGRCYESYSEDRRIVQSMTELIPGLQGDVPKDFTSGMPFVAGKNKVAACAKHFVGDGGTVDGINENNTIINREGLMNIHMPAYKNAMDKGVSTVMISYSSWNGVKMHANQDLVTGYLKDTLKFKGFVISDWEGIDRITTPAGSDYSYSVKASILAGLDMIMVPNKYQQFISILTGHVNGGVIPMSRIDDAVTRILRVKFTMGLFENPYADPAMAEQLGKQEHRDLAREAARKSLVLLKNGKTSTDAPLLPLPKKAPKILVAGSHADNLGYQCGGWTIEWQGDTGRTTVGTTILEAVKAAVDPSTVVVFAENPDAEFVKSGGFSYAIVAVGEHPYTETKGDNLNLTIPEPGLSTVQAVCGGVRCATVLISGRPVVVQPLLAASDALVAAWLPGSEGQGVTDALFGDFGFTGRLPRTWFKSVDQLPMNVGDAHYDPLFRLGYGLTTNATKKY

Entity 2 branched

description	;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1098.0 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

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

Entity 4 non-polymer

description	alpha-D-glucopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	220

▶

6. Citations (2)

▶

length_a	102.090 Å
length_b	102.090 Å
length_c	184.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.200 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1700
r_free	0.2020

fit	/app/data/saxs_computation/ex/1ex1/1ex1.fit
pddf	/app/data/pr_computation/ex/1ex1/1ex1.pr.out
profile	/app/data/saxs_computation/ex/1ex1/1ex1.dat

BETA-D-GLUCAN EXOHYDROLASE FROM BARLEY

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