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1d9y

NEISSERIA GONORRHOEAE FERRIC BINDING PROTEIN

Method: X-RAY DIFFRACTION D_max: 63.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d9y
deposition_date	1999-10-30
title	NEISSERIA GONORRHOEAE FERRIC BINDING PROTEIN
keywords	FERRIC BINDING PROTEIN, PERIPLASMIC BINDING PROTEIN, FBPA, GHONNORHEA, NEISSERIA, 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	20.20 Å
rg_electron	19.18 Å
i0	19427400.00
molecular_weight	33817.0 kDa
excluded_volume	42548 Å³
envelope_volume	48288 Å³
shell_volume	20865 Å³
envelope_diameter	63.4 Å
shell_rg	25.68 Å
envelope_rg	19.34 Å
shape_rg	19.17 Å
total_rg	20.11 Å
total_atoms	2384
n_residues	309
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	63.6 Å
rg_real	20.12 Å
rg_real_error	0.32 Å
i0_real	1.9430e+07
i0_real_error	2.2160e+05
rg_reciprocal	20.13 Å
i0_reciprocal	19430000.0000
total_estimate	0.7542
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.237
kurtosis	-0.429
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	5623000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 0.406; Positv: 1.000; Valcen: 0.995; Smooth: 0.897

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (PERIPLASMIC IRON-BINDING PROTEIN)
formula_weight	33704.4 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2756

DITVYNGQHKEAAQAVADAFTRATGIKVKLNCAKGDQLAGQIKEEGSRSPADVFYSEQIPALATLSAANLLEPLPASTINETRGKGVPVAAKKDWVALSGRSRVVVYDTRKLSEKDLEKSVLNYATPKWKNRIGYVPTSGAFLEQIVAIVKLKGEAAALKWLKGLKEYGKPYAKNSVALQAVENGEIDAALINNYYWHAFAREKGVQNVHTRLNFVRHRDPGALVTYSGAAVLKSSQNKDEAKKFVAFLAGKEGQRALTAVRAEYPLNPHVVSTFNLEPIAKLEAPQVSATTVSEKEHATRLLEQAGMK

Entity 2 non-polymer

description	FE (III) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	335

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6. Citations (1)

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length_a	40.583 Å
length_b	111.009 Å
length_c	140.423 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.200 Å
resolution_low	10.000 Å
r_factor	0.1850
r_work	0.2310
r_free	0.3770

fit	/app/data/saxs_computation/d9/1d9y/1d9y.fit
pddf	/app/data/pr_computation/d9/1d9y/1d9y.pr.out
profile	/app/data/saxs_computation/d9/1d9y/1d9y.dat

NEISSERIA GONORRHOEAE FERRIC BINDING PROTEIN

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