CRYSTAL STRUCTURE OF PROCATHEPSIN L

Method: X-RAY DIFFRACTION D_max: 74.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cs8
deposition_date	1999-08-17
title	CRYSTAL STRUCTURE OF PROCATHEPSIN L
keywords	PROSEGMENT, PROPEPTIDE, INHIBITION, 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	21.27 Å
rg_electron	20.47 Å
i0	24170600.00
molecular_weight	35854.0 kDa
excluded_volume	44065 Å³
envelope_volume	52880 Å³
shell_volume	21631 Å³
envelope_diameter	77.5 Å
shell_rg	27.19 Å
envelope_rg	21.01 Å
shape_rg	20.46 Å
total_rg	21.35 Å
total_atoms	3089
n_residues	315
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	74.8 Å
rg_real	21.23 Å
rg_real_error	0.45 Å
i0_real	2.4170e+07
i0_real_error	3.1710e+05
rg_reciprocal	21.23 Å
i0_reciprocal	24170000.0000
total_estimate	0.8618
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.318
kurtosis	-0.312
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	5942000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.747; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	104.290 Å
length_b	104.290 Å
length_c	85.990 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.800 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.2066
r_free	0.2285

description	HUMAN PROCATHEPSIN L
formula_weight	35921.0 kDa
ec_number	3.4.22.15
mutation	T110A
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	3898

CRYSTAL STRUCTURE OF PROCATHEPSIN L

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Pichia pastoris

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	249

fit	/app/data/saxs_computation/cs/1cs8/1cs8.fit
pddf	/app/data/pr_computation/cs/1cs8/1cs8.pr.out
profile	/app/data/saxs_computation/cs/1cs8/1cs8.dat