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1bjr

COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K

Method: X-RAY DIFFRACTION D_max: 55.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bjr
deposition_date	1998-06-27
title	COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K
keywords	PROTEINASE K, LACTOFERRIN, IRON TRANSPORT, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
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	17.83 Å
rg_electron	16.71 Å
i0	17209400.00
molecular_weight	29786.0 kDa
excluded_volume	36495 Å³
envelope_volume	38831 Å³
shell_volume	18752 Å³
envelope_diameter	56.7 Å
shell_rg	23.67 Å
envelope_rg	17.04 Å
shape_rg	16.74 Å
total_rg	17.56 Å
total_atoms	2088
n_residues	289
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	55.2 Å
rg_real	17.66 Å
rg_real_error	0.26 Å
i0_real	1.7210e+07
i0_real_error	1.8280e+05
rg_reciprocal	17.68 Å
i0_reciprocal	17210000.0000
total_estimate	0.8123
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	23.1 Å
skewness	0.051
kurtosis	-0.468
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0000
highest_alpha	5145000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEINASE K
formula_weight	28930.8 kDa
ec_number	3.4.21.64
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	2289

AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA

Entity 2 polymer

description	LACTOFERRIN
formula_weight	813.9 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

VAQGGAAGLA

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	201

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6. Citations (3)

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length_a	44.600 Å
length_b	38.581 Å
length_c	79.220 Å
angle_alpha	90.00 °
angle_beta	105.80 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.440 Å
resolution_low	12.000 Å
r_factor	0.1670
r_work	0.1600
r_free	0.2250

fit	/app/data/saxs_computation/bj/1bjr/1bjr.fit
pddf	/app/data/pr_computation/bj/1bjr/1bjr.pr.out
profile	/app/data/saxs_computation/bj/1bjr/1bjr.dat

COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K

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 (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)