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1czf

ENDO-POLYGALACTURONASE II FROM ASPERGILLUS NIGER

Method: X-RAY DIFFRACTION D_max: 115.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1czf
deposition_date	1999-09-02
title	ENDO-POLYGALACTURONASE II FROM ASPERGILLUS NIGER
keywords	BETA HELIX, HYDROLASE; 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	34.82 Å
rg_electron	34.71 Å
i0	84932300.00
molecular_weight	70510.0 kDa
excluded_volume	86565 Å³
envelope_volume	107590 Å³
shell_volume	26429 Å³
envelope_diameter	113.3 Å
shell_rg	40.03 Å
envelope_rg	34.14 Å
shape_rg	34.71 Å
total_rg	35.07 Å
total_atoms	4928
n_residues	670
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	115.7 Å
rg_real	35.07 Å
rg_real_error	1.10 Å
i0_real	8.4930e+07
i0_real_error	1.4530e+06
rg_reciprocal	34.92 Å
i0_reciprocal	84920000.0000
total_estimate	0.7893
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	25.7 Å
skewness	0.343
kurtosis	-0.848
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	12170000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.595; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.573; Smooth: 0.898

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	POLYGALACTURONASE II
formula_weight	37715.7 kDa
ec_number	3.2.1.15
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5932

MHSFASLLAYGLVAGATFASASPIEARDSCTFTTAAAAKAGKAKCSTITLNNIEVPAGTTLDLTGLTSGTKVIFEGTTTFQYEEWAGPLISMSGEHITVTGASGHLINCDGARWWDGKGTSGKKKPKFFYAHGLDSSSITGLNIKNTPLMAFSVQANDITFTDVTINNADGDTQGGHNTDAFDVGNSVGVNIIKPWVHNQDDCLAVNSGENIWFTGGTCIGGHGLSIGSVGDRSNNVVKNVTIEHSTVSNSENAVRIKTISGATGSVSEITYSNIVMSGISDYGVVIQQDYEDGKPTGKPTNGVTIQDVKLESVTGSVDSGATEIYLLCGSGSCSDWTWDDVKVTGGKKSTACKNFPSVASC

Entity 2 non-polymer

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

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	6

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	980

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6. Citations (1)

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length_a	65.497 Å
length_b	201.241 Å
length_c	49.065 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.680 Å
resolution_low	20.000 Å
r_factor	0.1660
r_work	0.1660
r_free	0.1910

fit	/app/data/saxs_computation/cz/1czf/1czf.fit
pddf	/app/data/pr_computation/cz/1czf/1czf.pr.out
profile	/app/data/saxs_computation/cz/1czf/1czf.dat

ENDO-POLYGALACTURONASE II FROM ASPERGILLUS NIGER

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