THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K

Method: X-RAY DIFFRACTION D_max: 72.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1by8
deposition_date	1998-10-27
title	THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K
keywords	HYDROLASE(SULFHYDRYL PROTEINASE), PAPAIN, 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	20.86 Å
rg_electron	20.02 Å
i0	22189700.00
molecular_weight	34814.0 kDa
excluded_volume	43172 Å³
envelope_volume	50999 Å³
shell_volume	21285 Å³
envelope_diameter	71.6 Å
shell_rg	26.70 Å
envelope_rg	20.51 Å
shape_rg	19.99 Å
total_rg	20.98 Å
total_atoms	2447
n_residues	310
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	72.7 Å
rg_real	20.81 Å
rg_real_error	0.44 Å
i0_real	2.2190e+07
i0_real_error	2.8600e+05
rg_reciprocal	20.82 Å
i0_reciprocal	22190000.0000
total_estimate	0.6748
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.317
kurtosis	-0.244
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	5334000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.751; Stabil: 1.000; Sysdev: 0.177; Positv: 1.000; Valcen: 0.985; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (1)

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6. Citations (1)

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length_a	56.780 Å
length_b	156.550 Å
length_c	96.260 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.600 Å
resolution_low	10.000 Å
r_factor	0.2140
r_work	0.2140
r_free	0.3440

description	PROTEIN (PROCATHEPSIN K)
formula_weight	35357.9 kDa
ec_number	3.4.22.38
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2447

THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K

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

5. Entities & Polymer Info (1)

Entity 1 polymer

Polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

fit	/app/data/saxs_computation/by/1by8/1by8.fit
pddf	/app/data/pr_computation/by/1by8/1by8.pr.out
profile	/app/data/saxs_computation/by/1by8/1by8.dat