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1afr

STEAROYL-ACYL CARRIER PROTEIN DESATURASE FROM CASTOR SEEDS

Method: X-RAY DIFFRACTION D_max: 141.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1afr
deposition_date	1997-03-13
title	STEAROYL-ACYL CARRIER PROTEIN DESATURASE FROM CASTOR SEEDS
keywords	OXIDOREDUCTASE, FATTY ACID DESATURASE, FATTY ACID BIOSYNTHESIS, BINUCLEAR IRON CENTER, ELECTRON TRANSFER; OXIDOREDUCTASE
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	43.17 Å
rg_electron	42.94 Å
i0	848626000.00
molecular_weight	238820.0 kDa
excluded_volume	297730 Å³
envelope_volume	377770 Å³
shell_volume	71339 Å³
envelope_diameter	143.0 Å
shell_rg	49.35 Å
envelope_rg	42.80 Å
shape_rg	42.92 Å
total_rg	43.27 Å
total_atoms	16788
n_residues	2070
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	141.6 Å
rg_real	43.09 Å
rg_real_error	1.19 Å
i0_real	8.4860e+08
i0_real_error	1.7610e+07
rg_reciprocal	43.17 Å
i0_reciprocal	848700000.0000
total_estimate	0.8979
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	49.7 Å
skewness	0.225
kurtosis	-0.577
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	246700000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.930

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	DELTA9 STEAROYL-ACYL CARRIER PROTEIN DESATURASE
formula_weight	39754.1 kDa
ec_number	1.14.99.6
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	17326

MPPREVHVQVTHSMPPQKIEIFKSLDNWAEENILVHLKPVEKCWQPQDFLPDPASDGFDEQVRELRERAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARQAKEHGDIKLAQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFDHFSAVAQRLGVYTAKDYADILEFLVGRWKVDKLTGLSAEGQKAQDYVCRLPPRIRRLEERAQGRAKEAPTMPFSWIFDRQVKL

Source

organism	Ricinus communis
common_name	castor bean
ncbi_taxonomy_id	3988
host_organism	Escherichia coli

Entity 2 non-polymer

description	FE (II) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	12

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	538

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6. Citations (2)

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length_a	82.200 Å
length_b	147.800 Å
length_c	198.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	7.000 Å
r_factor	0.2200
r_work	0.2200
r_free	0.2850

fit	/app/data/saxs_computation/af/1afr/1afr.fit
pddf	/app/data/pr_computation/af/1afr/1afr.pr.out
profile	/app/data/saxs_computation/af/1afr/1afr.dat

STEAROYL-ACYL CARRIER PROTEIN DESATURASE FROM CASTOR SEEDS

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