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1f0u

BOVINE TRYPSIN COMPLEXED WITH RPR128515

Method: X-RAY DIFFRACTION D_max: 53.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f0u
deposition_date	2000-05-17
title	BOVINE TRYPSIN COMPLEXED WITH RPR128515
keywords	Protein-inhibitor complex, 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	17.20 Å
rg_electron	16.11 Å
i0	10922700.00
molecular_weight	23906.0 kDa
excluded_volume	29586 Å³
envelope_volume	32608 Å³
shell_volume	16677 Å³
envelope_diameter	54.5 Å
shell_rg	22.48 Å
envelope_rg	16.34 Å
shape_rg	16.09 Å
total_rg	17.11 Å
total_atoms	1669
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	53.6 Å
rg_real	17.08 Å
rg_real_error	0.23 Å
i0_real	1.0920e+07
i0_real_error	1.0930e+05
rg_reciprocal	17.09 Å
i0_reciprocal	10920000.0000
total_estimate	0.8967
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.6 Å
skewness	0.117
kurtosis	-0.457
angular_range	— – 0.4650 Å⁻¹
current_alpha	0.0000
highest_alpha	3049000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	TRYPSIN
formula_weight	25444.7 kDa
ec_number	3.4.21.4
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1803

FIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN

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	1

Entity 4 non-polymer

description	;3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER ;
formula_weight	458.6 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	134

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6. Citations (1)

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length_a	63.730 Å
length_b	63.890 Å
length_c	69.170 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	1.900 Å
resolution_low	15.000 Å
r_factor	0.1720
r_work	0.1720
r_free	—

fit	/app/data/saxs_computation/f0/1f0u/1f0u.fit
pddf	/app/data/pr_computation/f0/1f0u/1f0u.pr.out
profile	/app/data/saxs_computation/f0/1f0u/1f0u.dat

BOVINE TRYPSIN COMPLEXED WITH RPR128515

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