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1a49

BIS MG-ATP-K-OXALATE COMPLEX OF PYRUVATE KINASE

Method: X-RAY DIFFRACTION D_max: 214.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a49
deposition_date	1998-02-12
title	BIS MG-ATP-K-OXALATE COMPLEX OF PYRUVATE KINASE
keywords	TRANSFERASE, PYRUVATE KINASE, RABBIT MUSCLE, DOMAIN MOVEMENT, POTASSIUM BINDING; 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	67.95 Å
rg_electron	68.66 Å
i0	3032630000.00
molecular_weight	458890.0 kDa
excluded_volume	572930 Å³
envelope_volume	792280 Å³
shell_volume	100310 Å³
envelope_diameter	236.6 Å
shell_rg	61.60 Å
envelope_rg	67.94 Å
shape_rg	68.66 Å
total_rg	68.52 Å
total_atoms	32080
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	214.0 Å
rg_real	68.35 Å
rg_real_error	2.13 Å
i0_real	3.0320e+09
i0_real_error	7.1900e+07
rg_reciprocal	66.33 Å
i0_reciprocal	3021000000.0000
total_estimate	0.5765
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	55.8 Å
skewness	0.504
kurtosis	-0.540
angular_range	— – 0.1150 Å⁻¹
current_alpha	0.0001
highest_alpha	101800000.0000
n_real_points	24
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.841; Stabil: 0.999; Sysdev: 0.038; Positv: 1.000; Valcen: 0.847; Smooth: 0.012

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PYRUVATE KINASE
formula_weight	57998.8 kDa
ec_number	2.7.1.40
src_method	nat
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	34001

SKSHSEAGSAFIQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARSSSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	OXALATE ION
formula_weight	88.0 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	14

Entity 5 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	6

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1921

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6. Citations (1)

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length_a	95.300 Å
length_b	216.500 Å
length_c	258.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.100 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1980
r_free	—

fit	/app/data/saxs_computation/a4/1a49/1a49.fit
pddf	/app/data/pr_computation/a4/1a49/1a49.pr.out
profile	/app/data/saxs_computation/a4/1a49/1a49.dat