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1f5c

CRYSTAL STRUCTURE OF F25H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION

Method: X-RAY DIFFRACTION D_max: 42.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f5c
deposition_date	2000-06-13
title	CRYSTAL STRUCTURE OF F25H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION
keywords	beta-sheet, protein monomer, iron sulfur protein, ferredoxin, ELECTRON TRANSPORT; 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	12.39 Å
i0	3941430.00
molecular_weight	12766.0 kDa
excluded_volume	15274 Å³
envelope_volume	16304 Å³
shell_volume	10978 Å³
envelope_diameter	39.9 Å
shell_rg	18.42 Å
envelope_rg	12.82 Å
shape_rg	12.50 Å
total_rg	13.34 Å
total_atoms	860
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	42.0 Å
rg_real	13.45 Å
rg_real_error	0.18 Å
i0_real	3.9410e+06
i0_real_error	4.0950e+04
rg_reciprocal	13.46 Å
i0_reciprocal	3941000.0000
total_estimate	0.8986
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	16.5 Å
skewness	0.126
kurtosis	-0.400
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	539100.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.905; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	FERREDOXIN 1
formula_weight	12050.5 kDa
mutation	F25H
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1025

AFVVTDNCIKCKYTDCVEVCPVDCHYEGPNFLVIHPDECIDCALCEPECPAQAIFSEDEVPEDMQEFIQLNAELAEVWPNITEKKDPLPDAEDWDGVKGKLQHLER

Source

organism	Azotobacter vinelandii
ncbi_taxonomy_id	354
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 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 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	165

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6. Citations (1)

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length_a	55.222 Å
length_b	55.222 Å
length_c	92.720 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	1.750 Å
resolution_low	39.050 Å
r_factor	0.2040
r_work	0.2040
r_free	0.2270

fit	/app/data/saxs_computation/f5/1f5c/1f5c.fit
pddf	/app/data/pr_computation/f5/1f5c/1f5c.pr.out
profile	/app/data/saxs_computation/f5/1f5c/1f5c.dat