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1b1x

STRUCTURE OF DIFERRIC MARE LACTOFERRIN AT 2.62A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 96.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b1x
deposition_date	1998-11-24
title	STRUCTURE OF DIFERRIC MARE LACTOFERRIN AT 2.62A RESOLUTION
keywords	IRON BINDING PROTEIN, LACTOFERRIN, ANTIBACTERIAL, METAL BINDING PROTEIN; METAL BINDING PROTEIN
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	30.22 Å
rg_electron	29.44 Å
i0	98188200.00
molecular_weight	75516.0 kDa
excluded_volume	93398 Å³
envelope_volume	115650 Å³
shell_volume	33133 Å³
envelope_diameter	100.1 Å
shell_rg	36.27 Å
envelope_rg	29.19 Å
shape_rg	29.42 Å
total_rg	30.10 Å
total_atoms	5291
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	96.6 Å
rg_real	30.25 Å
rg_real_error	0.66 Å
i0_real	9.8190e+07
i0_real_error	1.4150e+06
rg_reciprocal	30.24 Å
i0_reciprocal	98190000.0000
total_estimate	0.8935
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.7 Å
skewness	0.314
kurtosis	-0.627
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	23450000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.931

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	LACTOFERRIN
formula_weight	75371.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5403

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	CARBONATE ION
formula_weight	60.0 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	112

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6. Citations (2)

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length_a	85.175 Å
length_b	99.496 Å
length_c	103.052 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	2.620 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1940
r_free	0.2640

fit	/app/data/saxs_computation/b1/1b1x/1b1x.fit
pddf	/app/data/pr_computation/b1/1b1x/1b1x.pr.out
profile	/app/data/saxs_computation/b1/1b1x/1b1x.dat

STRUCTURE OF DIFERRIC MARE LACTOFERRIN AT 2.62A RESOLUTION

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