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1f3x

S402P MUTANT OF RABBIT MUSCLE PYRUVATE KINASE

Method: X-RAY DIFFRACTION D_max: 194.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f3x
deposition_date	2000-06-06
title	S402P MUTANT OF RABBIT MUSCLE PYRUVATE KINASE
keywords	pyruvate kinase, S402P, muscle isozyme, TRANSFERASE; TRANSFERASE
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	56.61 Å
rg_electron	56.79 Å
i0	2955640000.00
molecular_weight	455430.0 kDa
excluded_volume	570190 Å³
envelope_volume	766400 Å³
shell_volume	111290 Å³
envelope_diameter	196.5 Å
shell_rg	59.91 Å
envelope_rg	56.07 Å
shape_rg	56.80 Å
total_rg	56.81 Å
total_atoms	31856
n_residues	4152
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	194.1 Å
rg_real	56.65 Å
rg_real_error	1.62 Å
i0_real	2.9560e+09
i0_real_error	6.1560e+07
rg_reciprocal	56.54 Å
i0_reciprocal	2955000000.0000
total_estimate	0.8795
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	62.4 Å
skewness	0.321
kurtosis	-0.518
angular_range	— – 0.1400 Å⁻¹
current_alpha	0.0001
highest_alpha	247000000.0000
n_real_points	29
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.858

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PYRUVATE KINASE
formula_weight	57992.9 kDa
ec_number	2.7.1.40
mutation	S402P
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	32060

SKSHSEAGSAFIQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARASPHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP

Source

organism	Oryctolagus cuniculus
common_name	rabbit
ncbi_taxonomy_id	9986
host_organism	Escherichia coli

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	PYRUVIC ACID
formula_weight	88.1 kDa
src_method	syn
entity_count	8

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	204

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6. Citations (1)

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length_a	82.138 Å
length_b	108.707 Å
length_c	144.387 Å
angle_alpha	95.26 °
angle_beta	93.47 °
angle_gamma	112.24 °
z_pdb	8

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.800 Å
resolution_low	36.000 Å
r_factor	0.2410
r_work	0.2410
r_free	0.2700

fit	/app/data/saxs_computation/f3/1f3x/1f3x.fit
pddf	/app/data/pr_computation/f3/1f3x/1f3x.pr.out
profile	/app/data/saxs_computation/f3/1f3x/1f3x.dat