← Back to search

1ayl

PHOSPHOENOLPYRUVATE CARBOXYKINASE

Method: X-RAY DIFFRACTION D_max: 79.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ayl
deposition_date	1995-12-07
title	PHOSPHOENOLPYRUVATE CARBOXYKINASE
keywords	P-LOOP, PROTEIN-ATP COMPLEX, NUCLEOTIDE-TRIPHOSPHATE HYDROLASE, KINASE (TRANSPHOSPHORYLATING); KINASE (TRANSPHOSPHORYLATING)
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	24.36 Å
rg_electron	23.29 Å
i0	57847500.00
molecular_weight	58802.0 kDa
excluded_volume	73293 Å³
envelope_volume	85784 Å³
shell_volume	29857 Å³
envelope_diameter	80.2 Å
shell_rg	31.34 Å
envelope_rg	23.50 Å
shape_rg	23.31 Å
total_rg	24.12 Å
total_atoms	5042
n_residues	532
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

▼

3. P(r) Analysis (GNOM)

dmax	79.4 Å
rg_real	24.26 Å
rg_real_error	0.39 Å
i0_real	5.7850e+07
i0_real_error	7.1940e+05
rg_reciprocal	24.29 Å
i0_reciprocal	57850000.0000
total_estimate	0.8881
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.0 Å
skewness	0.278
kurtosis	-0.315
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	19890000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.992

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	PHOSPHOENOLPYRUVATE CARBOXYKINASE
formula_weight	59796.3 kDa
ec_number	4.1.1.49
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6079

MRVNNGLTPQELEAYGISDVHDIVYNPSYDLLYQEELDPSLTGYERGVLTNLGAVAVDTGIFTGRSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHLKGLVTRQLSGKRLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRPSDEELAGFKPDFIVMNGAKCTNPQWKEQGLNSENFVAFNLTERMQLIGGTWYGGEMKKGMFSMMNYLLPLKGIASMHCSANVGEKGDVAVFFGLSGTGKTTLSTDPKRRLIGDDEHGWDDDGVFNFEGGCYAKTIKLSKEAEPEIYNAIRRDALLENVTVREDGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHATKVIFLTADAFGVLPPVSRLTADQTQYHFLSGFTAKLAGTERGITEPTPTFSACFGAAFLSLHPTQYAEVLVKRMQAAGAQAYLVNTGWNGTGKRISIKDTRAIIDAILNGSLDNAETFTLPMFNLAIPTELPGVDTKILDPRNTYASPEQWQEKAETLAKLFIDNFDKYTDTPAGAALVAAGPKLS

Entity 2 non-polymer

description	OXALATE ION
formula_weight	88.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	345

▶

6. Citations (5)

▶

length_a	127.510 Å
length_b	96.690 Å
length_c	46.960 Å
angle_alpha	90.00 °
angle_beta	96.63 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.800 Å
resolution_low	6.000 Å
r_factor	0.1950
r_work	0.1950
r_free	0.2340

fit	/app/data/saxs_computation/ay/1ayl/1ayl.fit
pddf	/app/data/pr_computation/ay/1ayl/1ayl.pr.out
profile	/app/data/saxs_computation/ay/1ayl/1ayl.dat