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1ce2

STRUCTURE OF DIFERRIC BUFFALO LACTOFERRIN AT 2.5A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 99.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ce2
deposition_date	1999-03-13
title	STRUCTURE OF DIFERRIC BUFFALO LACTOFERRIN AT 2.5A RESOLUTION
keywords	IRON BINDING PROTEIN, LACTOFERRIN, ANTIBACTERIAL, ROOM TEMPERATURE, 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	30.64 Å
rg_electron	29.84 Å
i0	97241100.00
molecular_weight	75990.0 kDa
excluded_volume	94328 Å³
envelope_volume	116920 Å³
shell_volume	33122 Å³
envelope_diameter	98.0 Å
shell_rg	36.41 Å
envelope_rg	29.50 Å
shape_rg	29.84 Å
total_rg	30.42 Å
total_atoms	5324
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	99.6 Å
rg_real	30.70 Å
rg_real_error	0.75 Å
i0_real	9.7240e+07
i0_real_error	1.5470e+06
rg_reciprocal	30.68 Å
i0_reciprocal	97240000.0000
total_estimate	0.6754
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.7 Å
skewness	0.324
kurtosis	-0.632
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	25690000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 0.077; Positv: 1.000; Valcen: 0.933; Smooth: 0.958

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (LACTOFERRIN)
formula_weight	75846.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5415

APRKNVRWCTISQPEWLKCHRWQWRMKKLGAPSITCVRRASVLECIRAITEKKADAVTLDGGMVFEAGRDPYKLRPVAAEIYGTKESPQTHYYAVAVVKKGSNFQLDQLQGRNSCHTGLGRSAGWNIPMGILRPYLSWTESLEPLQGAVAKFFSASCVPCVDRQAYPNLCQLCKGEGENQCACSPREPYFGYSGAFKCLQDGAGDVAFVKETTVFENLPEKADRDQYELLCLNNTRAPVDAFKECHLAQVPSHAVVARSVDGKEDLIWKLLSKAQEKFGKNKSGSFQLFGSPPGQRDLLFKDSALGFLRIPSKVDSALYLGSRYLTALKNLRETAEEVQARRARVVWCAVGPEEQKKCQQWSQQSGQIVTCATASTTDDCIALVLKGEADALSLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKKANEGLTWNSLKGKKSCHTAVDRTAGWNIPMGLIANQTGSCAFDEFFSQSCAPGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPVTEAQSCHLAVAPNHAVVSLSERAAHVEQVLLHQQALFGENGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCSTSPLLEACAFLTR

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	91

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6. Citations (3)

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length_a	77.462 Å
length_b	91.035 Å
length_c	131.507 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	2.500 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1870
r_free	0.2650

fit	/app/data/saxs_computation/ce/1ce2/1ce2.fit
pddf	/app/data/pr_computation/ce/1ce2/1ce2.pr.out
profile	/app/data/saxs_computation/ce/1ce2/1ce2.dat

STRUCTURE OF DIFERRIC BUFFALO LACTOFERRIN AT 2.5A 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