INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE, NMR, 30 STRUCTURES

Method: SOLUTION NMR D_max: 91.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ayk
deposition_date	1997-11-06
title	INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE, NMR, 30 STRUCTURES
keywords	MATRIX METALLOPROTEASE, HYDROLASE, METALLOPROTEASE, GLYCOPROTEIN; METALLOPROTEASE
method	SOLUTION NMR

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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	25.71 Å
rg_electron	25.70 Å
i0	5057480000.00
molecular_weight	570100.0 kDa
excluded_volume	696270 Å³
envelope_volume	92217 Å³
shell_volume	28691 Å³
envelope_diameter	100.4 Å
shell_rg	33.93 Å
envelope_rg	27.73 Å
shape_rg	25.70 Å
total_rg	25.79 Å
total_atoms	77040
n_residues	5070
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	91.8 Å
rg_real	25.84 Å
rg_real_error	1.00 Å
i0_real	5.0570e+09
i0_real_error	7.6140e+07
rg_reciprocal	25.81 Å
i0_reciprocal	5057000000.0000
total_estimate	0.8152
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	23.7 Å
skewness	0.405
kurtosis	-0.557
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	5774000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.625; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.726; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

description	COLLAGENASE
formula_weight	18865.5 kDa
ec_number	3.4.24.7
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	77040

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE, NMR, 30 STRUCTURES

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 non-polymer

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/ay/1ayk/1ayk.fit
pddf	/app/data/pr_computation/ay/1ayk/1ayk.pr.out
profile	/app/data/saxs_computation/ay/1ayk/1ayk.dat