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1a3x

PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PG, MN2+ AND K+

Method: X-RAY DIFFRACTION D_max: 154.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a3x
deposition_date	1998-01-26
title	PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PG, MN2+ AND K+
keywords	PYRUVATE KINASE, ALLOSTERIC REGULATION, 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	45.85 Å
rg_electron	46.11 Å
i0	164017000.00
molecular_weight	106680.0 kDa
excluded_volume	134030 Å³
envelope_volume	190880 Å³
shell_volume	34194 Å³
envelope_diameter	150.7 Å
shell_rg	51.83 Å
envelope_rg	44.73 Å
shape_rg	46.09 Å
total_rg	46.42 Å
total_atoms	7472
n_residues	974
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	154.2 Å
rg_real	46.27 Å
rg_real_error	1.77 Å
i0_real	1.6400e+08
i0_real_error	3.3210e+06
rg_reciprocal	45.85 Å
i0_reciprocal	163900000.0000
total_estimate	0.6809
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.260
kurtosis	-1.070
angular_range	— – 0.1700 Å⁻¹
current_alpha	0.0000
highest_alpha	18040000.0000
n_real_points	35
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.193; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.390; Smooth: 0.877

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PYRUVATE KINASE
formula_weight	54612.4 kDa
ec_number	2.7.1.40
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7472

MSRLERLTSLNVVAGSDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGSYEYHKSVIDNARKSEELYPGRPLAIALDTKGPEIRTGTTTNDVDYPIPPNHEMIFTTDDKYAKACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLEVVDDKTLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVHMVFASFIRTANDVLTIREVLGEQGKDVKIIVKIENQQGVNNFDEILKVTDGVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNPRPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQAIAYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTPRLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEARINFGIEKAKEFGILKKGDTYVSIQGFKAGAGHSNTLQVSTV

Entity 2 non-polymer

description	2-PHOSPHOGLYCOLIC ACID
formula_weight	156.0 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	108.300 Å
length_b	106.400 Å
length_c	105.500 Å
angle_alpha	90.00 °
angle_beta	110.80 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	3.000 Å
resolution_low	100.000 Å
r_factor	0.2270
r_work	0.2270
r_free	0.3410

fit	/app/data/saxs_computation/a3/1a3x/1a3x.fit
pddf	/app/data/pr_computation/a3/1a3x/1a3x.pr.out
profile	/app/data/saxs_computation/a3/1a3x/1a3x.dat

PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PG, MN2+ AND K+

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