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1b7z

STRUCTURE OF OXALATE SUBSTITUTED DIFERRIC MARE LACTOFERRIN FROM COLOSTRUM

Method: X-RAY DIFFRACTION D_max: 96.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b7z
deposition_date	1999-01-26
title	STRUCTURE OF OXALATE SUBSTITUTED DIFERRIC MARE LACTOFERRIN FROM COLOSTRUM
keywords	LACTOFERRIN, DIOXALATE, METAL BINDING SITE, METAL TRANSPORT; METAL TRANSPORT
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	30.31 Å
rg_electron	29.53 Å
i0	98414000.00
molecular_weight	75572.0 kDa
excluded_volume	93449 Å³
envelope_volume	116240 Å³
shell_volume	33189 Å³
envelope_diameter	100.7 Å
shell_rg	36.38 Å
envelope_rg	29.30 Å
shape_rg	29.52 Å
total_rg	30.19 Å
total_atoms	5295
n_residues	689
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	96.9 Å
rg_real	30.35 Å
rg_real_error	0.59 Å
i0_real	9.8410e+07
i0_real_error	1.4210e+06
rg_reciprocal	30.33 Å
i0_reciprocal	98410000.0000
total_estimate	0.8937
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.8 Å
skewness	0.313
kurtosis	-0.631
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	23740000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.957; Smooth: 0.935

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (LACTOFERRIN)
formula_weight	75371.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5365

APRKSVRWCTISPAEAAKCAKFQRNMKKVRGPSVSCIRKTSSFECIQAIAANKADAVTLDGGLVYEAGLHPYKLRPVAAEVYQTRGKPQTRYYAVAVVKKGSGFQLNQLQGVKSCHTGLGRSAGWNIPIGTLRPYLNWTGPPEPLQKAVANFFSASCVPCADGKQYPNLCRLCAGTEADKCACSSQEPYFGYSGAFKCLENGAGDVAFVKDSTVFENLPDEAERDKYELLCPDNTRKPVDAFKECHLARVPSHAVVARSVDGREDLIWKLLHRAQEEFGRNKSSAFQLFGSTPGEQDLLFKDSALGFVRIPSQIDSGLYLGANYLTATQNLRETAAEVAARRERVVWCAVGPEEERKCKQWSDVSNRKVACASASTTEECIALVLKGEADALNLDGGFIYVAGKCGLVPVLAENQKSQNSNAPDCVHRPPEGYLAVAVVRKSDADLTWNSLSGKKSCHTGVGRTAAWNIPMGLLFNQTGSCKFDKFFSQSCAPGADPQSSLCALCVGNNENENKCMPNSEERYYGYTGAFRCLAEKAGDVAFVKDVTVLQNTDGKNSEPWAKDLKQEDFELLCLDGTRKPVAEAESCHLARAPNHAVVSQSDRAQHLKKVLFLQQDQFGGNGPDCPGKFCLFKSETKNLLFNDNTECLAELQGKTTYEQYLGSEYVTSITNLRRCSSSPLLEACAFLRA

Entity 2 non-polymer

description	FE (III) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	OXALATE ION
formula_weight	88.0 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	70

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6. Citations (2)

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length_a	84.524 Å
length_b	99.798 Å
length_c	103.935 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	2.700 Å
resolution_low	17.000 Å
r_factor	—
r_work	0.2130
r_free	0.2740

fit	/app/data/saxs_computation/b7/1b7z/1b7z.fit
pddf	/app/data/pr_computation/b7/1b7z/1b7z.pr.out
profile	/app/data/saxs_computation/b7/1b7z/1b7z.dat

STRUCTURE OF OXALATE SUBSTITUTED DIFERRIC MARE LACTOFERRIN FROM COLOSTRUM

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