CRYSTAL STRUCTURE OF A CYSTEINE PROTEASE PROFORM

Method: X-RAY DIFFRACTION D_max: 69.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cjl
deposition_date	1996-07-24
title	CRYSTAL STRUCTURE OF A CYSTEINE PROTEASE PROFORM
keywords	PROPEPTIDE, INHIBITOR, CYSTEINE PROTEASE, 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	20.85 Å
rg_electron	20.03 Å
i0	22681700.00
molecular_weight	34779.0 kDa
excluded_volume	42803 Å³
envelope_volume	49938 Å³
shell_volume	20954 Å³
envelope_diameter	75.6 Å
shell_rg	26.50 Å
envelope_rg	20.48 Å
shape_rg	20.01 Å
total_rg	20.91 Å
total_atoms	2997
n_residues	307
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	69.4 Å
rg_real	20.80 Å
rg_real_error	0.48 Å
i0_real	2.2680e+07
i0_real_error	3.0660e+05
rg_reciprocal	20.81 Å
i0_reciprocal	22680000.0000
total_estimate	0.8024
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	25.1 Å
skewness	0.319
kurtosis	-0.284
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	5120000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.811; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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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	40.080 Å
length_b	88.090 Å
length_c	94.930 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.200 Å
resolution_low	8.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2410

description	PROCATHEPSIN L
formula_weight	35318.3 kDa
ec_number	3.4.22.15
mutation	F(78P)L, C25S, T110A, E176G, D178G
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	3210

CRYSTAL STRUCTURE OF A CYSTEINE PROTEASE PROFORM

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	71

fit	/app/data/saxs_computation/cj/1cjl/1cjl.fit
pddf	/app/data/pr_computation/cj/1cjl/1cjl.pr.out
profile	/app/data/saxs_computation/cj/1cjl/1cjl.dat