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1aqf

PYRUVATE KINASE FROM RABBIT MUSCLE WITH MG, K, AND L-PHOSPHOLACTATE

Method: X-RAY DIFFRACTION D_max: 218.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aqf
deposition_date	1997-07-29
title	PYRUVATE KINASE FROM RABBIT MUSCLE WITH MG, K, AND L-PHOSPHOLACTATE
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	76.20 Å
rg_electron	76.57 Å
i0	2786700000.00
molecular_weight	446350.0 kDa
excluded_volume	558250 Å³
envelope_volume	849230 Å³
shell_volume	88278 Å³
envelope_diameter	235.0 Å
shell_rg	84.43 Å
envelope_rg	73.20 Å
shape_rg	76.58 Å
total_rg	76.62 Å
total_atoms	31216
n_residues	4059
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	218.4 Å
rg_real	76.49 Å
rg_real_error	1.61 Å
i0_real	2.7870e+09
i0_real_error	5.9480e+07
rg_reciprocal	74.57 Å
i0_reciprocal	2775000000.0000
total_estimate	0.7285
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	54.6 Å
skewness	0.171
kurtosis	-1.172
angular_range	— – 0.1000 Å⁻¹
current_alpha	0.0025
highest_alpha	79960000.0000
n_real_points	21
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.560; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.784; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

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	31410

SKSHSEAGSAFIQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARSSSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	L-PHOSPHOLACTATE
formula_weight	170.1 kDa
src_method	syn
entity_count	8

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	194

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6. Citations (1)

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length_a	144.400 Å
length_b	112.600 Å
length_c	171.200 Å
angle_alpha	90.00 °
angle_beta	93.70 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.700 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1960
r_free	—

fit	/app/data/saxs_computation/aq/1aqf/1aqf.fit
pddf	/app/data/pr_computation/aq/1aqf/1aqf.pr.out
profile	/app/data/saxs_computation/aq/1aqf/1aqf.dat

PYRUVATE KINASE FROM RABBIT MUSCLE WITH MG, K, AND L-PHOSPHOLACTATE

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