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1b0t

D15K/K84D MUTANT OF AZOTOBACTER VINELANDII FDI

Method: X-RAY DIFFRACTION D_max: 42.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b0t
deposition_date	1998-11-12
title	D15K/K84D MUTANT OF AZOTOBACTER VINELANDII FDI
keywords	ELECTRON TRANSPORT, IRON-SULFUR; ELECTRON 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	13.54 Å
rg_electron	12.38 Å
i0	3767540.00
molecular_weight	12680.0 kDa
excluded_volume	15272 Å³
envelope_volume	16144 Å³
shell_volume	10911 Å³
envelope_diameter	40.9 Å
shell_rg	18.37 Å
envelope_rg	12.79 Å
shape_rg	12.50 Å
total_rg	13.32 Å
total_atoms	856
n_residues	106
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	42.6 Å
rg_real	13.45 Å
rg_real_error	0.21 Å
i0_real	3.7680e+06
i0_real_error	3.7500e+04
rg_reciprocal	13.46 Å
i0_reciprocal	3768000.0000
total_estimate	0.8956
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	16.7 Å
skewness	0.120
kurtosis	-0.406
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	493900.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (FERREDOXIN I)
formula_weight	12059.5 kDa
mutation	D15K AND K84D
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	886

AFVVTDNCIKCKYTKCVEVCPVDCFYEGPNFLVIHPDECIDCALCEPECPAQAIFSEDEVPEDMQEFIQLNAELAEVWPNITEDKDPLPDAEDWDGVKGKLQHLER

Source

organism	Azotobacter vinelandii
ncbi_taxonomy_id	354
host_organism	Azotobacter vinelandii

Entity 2 non-polymer

description	IRON/SULFUR CLUSTER
formula_weight	351.6 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	FE3-S4 CLUSTER
formula_weight	295.8 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	30

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6. Citations (1)

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length_a	55.630 Å
length_b	55.630 Å
length_c	95.910 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.2090
r_work	0.2090
r_free	—

fit	/app/data/saxs_computation/b0/1b0t/1b0t.fit
pddf	/app/data/pr_computation/b0/1b0t/1b0t.pr.out
profile	/app/data/saxs_computation/b0/1b0t/1b0t.dat

D15K/K84D MUTANT OF AZOTOBACTER VINELANDII FDI

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