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9qv2

1-Phosphofructokinase mutant K95H from E. coli with bound fructose 6-phosphate and ADP

Method: X-RAY DIFFRACTION D_max: 61.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qv2
deposition_date	2025-04-11
last_revision	2026-04-22
title	1-Phosphofructokinase mutant K95H from E. coli with bound fructose 6-phosphate and ADP
keywords	fructose, fructose-1-phosphate, fructose-6-phosphate, kinase, FruK, ATP, ADP, 1-phosphofructokinase, 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	19.84 Å
rg_electron	18.72 Å
i0	20555100.00
molecular_weight	34258.0 kDa
excluded_volume	42750 Å³
envelope_volume	49412 Å³
shell_volume	21432 Å³
envelope_diameter	61.7 Å
shell_rg	25.73 Å
envelope_rg	19.10 Å
shape_rg	18.74 Å
total_rg	19.60 Å
total_atoms	2403
n_residues	309
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	61.5 Å
rg_real	19.69 Å
rg_real_error	0.25 Å
i0_real	2.0560e+07
i0_real_error	2.1540e+05
rg_reciprocal	19.71 Å
i0_reciprocal	20560000.0000
total_estimate	0.8974
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.0 Å
skewness	0.131
kurtosis	-0.442
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	5453000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.898; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.979

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	1-phosphofructokinase
formula_weight	33798.6 kDa
ec_number	2.7.1.56
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2727

MSRRVATITLNPAYDLVGFCPEIERGEVNLVKTTGLHAAGKGINVAKVLKDLGIDVTVGGFLGKDNQDGFQQLFSELGIANRFQVVQGRTRINVHLTEKDGEVTDFNFSGFEVTPADWERFVTDSLSWLGQFDMVCVSGSLPSGVSPEAFTDWMTRLRSQCPCIIFDSSREALVAGLKAAPWLVKPNRRELEIWAGRKLPEMKDVIEAAHALREQGIAHVVISLGAEGALWVNASGEWIAKPPSVDVVSTVGAGDSMVGGLIYGLLMRESSEHTLRLATAVAALAVSQSNVGITDRPQLAAMMARVDLQPFN

Source

organism	Escherichia coli K-12
ncbi_taxonomy_id	83333
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	6-O-phosphono-beta-D-fructofuranose
formula_weight	260.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 7 non-polymer

description	LITHIUM ION
formula_weight	6.9 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	312

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6. Citations (1)

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length_a	63.560 Å
length_b	99.080 Å
length_c	140.620 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	1.850 Å
resolution_low	29.380 Å
r_factor	0.1604
r_work	0.1588
r_free	0.1893

fit	/app/data/saxs_computation/qv/9qv2/9qv2.fit
pddf	/app/data/pr_computation/qv/9qv2/9qv2.pr.out
profile	/app/data/saxs_computation/qv/9qv2/9qv2.dat