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1aks

CRYSTAL STRUCTURE OF THE FIRST ACTIVE AUTOLYSATE FORM OF THE PORCINE ALPHA TRYPSIN

Method: X-RAY DIFFRACTION D_max: 52.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aks
deposition_date	1996-07-24
title	CRYSTAL STRUCTURE OF THE FIRST ACTIVE AUTOLYSATE FORM OF THE PORCINE ALPHA TRYPSIN
keywords	HYDROLASE, SERINE PROTEASE; SERINE PROTEASE
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	17.23 Å
rg_electron	16.14 Å
i0	10760400.00
molecular_weight	23537.0 kDa
excluded_volume	29082 Å³
envelope_volume	32148 Å³
shell_volume	16480 Å³
envelope_diameter	52.5 Å
shell_rg	22.40 Å
envelope_rg	16.34 Å
shape_rg	16.13 Å
total_rg	17.11 Å
total_atoms	2033
n_residues	223
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	52.6 Å
rg_real	17.10 Å
rg_real_error	0.23 Å
i0_real	1.0760e+07
i0_real_error	1.2230e+05
rg_reciprocal	17.12 Å
i0_reciprocal	10760000.0000
total_estimate	0.9024
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	51.2 Å
skewness	0.101
kurtosis	-0.464
angular_range	— – 0.4600 Å⁻¹
current_alpha	0.0000
highest_alpha	2448000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.918; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALPHA TRYPSIN
formula_weight	13304.0 kDa
ec_number	3.4.21.4
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2366

IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAAGTECLISGWGNTK

Entity 2 polymer

description	ALPHA TRYPSIN
formula_weight	10205.5 kDa
ec_number	3.4.21.4
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SSGSSYPSLLQCLKAPVLSNSSCKSSYPGQITGNMICVGFLQGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	111

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6. Citations (1)

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length_a	77.700 Å
length_b	53.820 Å
length_c	47.080 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	1.800 Å
resolution_low	8.000 Å
r_factor	0.2000
r_work	0.2000
r_free	—

fit	/app/data/saxs_computation/ak/1aks/1aks.fit
pddf	/app/data/pr_computation/ak/1aks/1aks.pr.out
profile	/app/data/saxs_computation/ak/1aks/1aks.dat

CRYSTAL STRUCTURE OF THE FIRST ACTIVE AUTOLYSATE FORM OF THE PORCINE ALPHA TRYPSIN

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)