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1e0u

Structure R271L mutant of E. coli pyruvate kinase

Method: X-RAY DIFFRACTION D_max: 143.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e0u
deposition_date	2000-04-10
title	Structure R271L mutant of E. coli pyruvate kinase
keywords	PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERY; PHOSPHOTRANSFERASE
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	44.58 Å
rg_electron	44.11 Å
i0	582023000.00
molecular_weight	197700.0 kDa
excluded_volume	247300 Å³
envelope_volume	328910 Å³
shell_volume	60343 Å³
envelope_diameter	146.5 Å
shell_rg	50.78 Å
envelope_rg	43.25 Å
shape_rg	44.13 Å
total_rg	44.30 Å
total_atoms	13800
n_residues	1844
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	143.8 Å
rg_real	44.55 Å
rg_real_error	1.00 Å
i0_real	5.8200e+08
i0_real_error	1.0100e+07
rg_reciprocal	44.58 Å
i0_reciprocal	582000000.0000
total_estimate	0.8341
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	53.4 Å
skewness	0.235
kurtosis	-0.588
angular_range	— – 0.1750 Å⁻¹
current_alpha	0.0000
highest_alpha	44340000.0000
n_real_points	36
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Pyruvate kinase
formula_weight	50751.4 kDa
ec_number	2.7.1.40
mutation	YES
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	14000

MKKTKIVCTIGPKTESEEMLAKMLDAGMNVMRLNFSHGDYAEHGQRIQNLRNVMSKTGKTAAILLDTKGPEIRTMKLEGGNDVSLKAGQTFTFTTDKSVIGNSEMVAVTYEGFTTDLSVGNTVLVDDGLIGMEVTAIEGNKVICKVLNNGDLGENKGVNLPGVSIALPALAEKDKQDLIFGCEQGVDFVAASFIRKRSDVIEIREHLKAHGGENIHIISKIENQEGLNNFDEILEASDGIMVARGDLGVEIPVEEVIFAQKMMIEKCIRALKVVITATMMLDSMIKNPRPTRAEAGDVANAILDGTDAVMLSGESAKGKYPLEAVSIMATICERTDRVMNSRLEFNNDNRKLRITEAVCRGAVETAEKLDAPLIVVATQGGKSARAVRKYFPDATILALTTNEKTAHQLVLSKGVVPQLVKEITSTDDFYRLGKELALQSGLAHKGDVVVMVSGALVPSGTTNTASVHVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	200

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6. Citations (1)

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length_a	74.010 Å
length_b	129.590 Å
length_c	241.770 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.800 Å
resolution_low	15.000 Å
r_factor	0.2450
r_work	0.2450
r_free	0.3120

fit	/app/data/saxs_computation/e0/1e0u/1e0u.fit
pddf	/app/data/pr_computation/e0/1e0u/1e0u.pr.out
profile	/app/data/saxs_computation/e0/1e0u/1e0u.dat

Structure R271L mutant of E. coli pyruvate kinase

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