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1a0j

CRYSTAL STRUCTURE OF A NON-PSYCHROPHILIC TRYPSIN FROM A COLD-ADAPTED FISH SPECIES.

Method: X-RAY DIFFRACTION D_max: 106.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a0j
deposition_date	1997-12-01
title	CRYSTAL STRUCTURE OF A NON-PSYCHROPHILIC TRYPSIN FROM A COLD-ADAPTED FISH SPECIES.
keywords	SERINE PROTEINASE, TRYPSIN, 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	31.64 Å
rg_electron	31.08 Å
i0	169152000.00
molecular_weight	96632.0 kDa
excluded_volume	117770 Å³
envelope_volume	145830 Å³
shell_volume	39691 Å³
envelope_diameter	109.2 Å
shell_rg	37.70 Å
envelope_rg	30.89 Å
shape_rg	31.06 Å
total_rg	31.61 Å
total_atoms	6727
n_residues	892
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	106.0 Å
rg_real	31.73 Å
rg_real_error	0.94 Å
i0_real	1.6920e+08
i0_real_error	2.9900e+06
rg_reciprocal	31.69 Å
i0_reciprocal	169100000.0000
total_estimate	0.8750
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	36.0 Å
skewness	0.442
kurtosis	-0.220
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	64380000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.874

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	TRYPSIN
formula_weight	23803.7 kDa
ec_number	3.4.21.4
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7106

IVGGYECRKNSASYQASLQSGYHFCGGSLISSTWVVSAAHCYKSRIQVRLGEHNIAVNEGTEQFIDSVKVIMHPSYNSRNLDNDIMLIKLSKPASLNSYVSTVALPSSCASSGTRCLVSGWGNLSGSSSNYPDTLRCLDLPILSSSSCNSAYPGQITSNMFCAGFMEGGKDSCQGDSGGPVVCNGQLQGVVSWGYGCAQRNKPGVYTKVCNYRSWISSTMSSN

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	10

Entity 4 non-polymer

description	BENZAMIDINE
formula_weight	120.2 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	379

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6. Citations (1)

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length_a	65.907 Å
length_b	83.107 Å
length_c	154.787 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.700 Å
resolution_low	8.000 Å
r_factor	0.1730
r_work	0.1730
r_free	0.2150

fit	/app/data/saxs_computation/a0/1a0j/1a0j.fit
pddf	/app/data/pr_computation/a0/1a0j/1a0j.pr.out
profile	/app/data/saxs_computation/a0/1a0j/1a0j.dat

CRYSTAL STRUCTURE OF A NON-PSYCHROPHILIC TRYPSIN FROM A COLD-ADAPTED FISH SPECIES.

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