← Back to search

9qz1

MINPP1 from Bacteroides thetaiotaomicron E325N mutant complex with myo-inositol(1,2,4,5,6)pentaphosphate

Method: X-RAY DIFFRACTION D_max: 92.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9qz1
deposition_date	2025-04-22
last_revision	2025-06-11
title	MINPP1 from Bacteroides thetaiotaomicron E325N mutant complex with myo-inositol(1,2,4,5,6)pentaphosphate
keywords	Histidine phosphatase, phytase, mutant, complex, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	30.20 Å
rg_electron	29.34 Å
i0	134831000.00
molecular_weight	92814.0 kDa
excluded_volume	116500 Å³
envelope_volume	140250 Å³
shell_volume	39068 Å³
envelope_diameter	95.9 Å
shell_rg	37.14 Å
envelope_rg	29.34 Å
shape_rg	29.32 Å
total_rg	30.10 Å
total_atoms	6555
n_residues	787
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	92.2 Å
rg_real	30.08 Å
rg_real_error	0.43 Å
i0_real	1.3480e+08
i0_real_error	1.7410e+06
rg_reciprocal	30.14 Å
i0_reciprocal	134800000.0000
total_estimate	0.9130
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	33.7 Å
skewness	0.150
kurtosis	-0.665
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	35260000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.968; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.960

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	multiple inositol polyphosphate histidine phosphatase 1
formula_weight	49188.4 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6672

MGSSHHHHHHSSGLVPRGSHMQTKIQKYAGTAMPYPNRTDSSITFRDGMTPFYINHLGRHGARFPTSRKALDKVEKVLVSAQQENGLTSEGMALLSMIRRLSRLFDGQWGKLSKLGETEQEGIAGRMIRNYPQLFSNSAKIEAIATYVPRSINSMDAFLSCMIRHNPALQVQRSEGKQYNHILRFFDLNKSYVNYKEKGDWLPIYKAFVHKKISPVPIMKKFLLNPEQYLDKEAEEFVMALFSVAAILPDTSIPLNLEDLFTLDEWHRYWQTQNLRQYMSKSSAPVGKMLPVAIAWPLLSEFIRSAQEVISGKSDYQANFRFAHANTVIPFVSLMGIEKTDVQVCRPDSVSVYWKDYEISPMAANVQWLFYRDRDQRIWVKILLNEEAAALPISTACFPYYSWEKTRIFFNQRIEMAKKTLSVFNE

Source

organism	Bacteroides thetaiotaomicron VPI-5482
ncbi_taxonomy_id	226186
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	(1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
formula_weight	580.1 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	84

▶

6. Citations (1)

▶

length_a	52.690 Å
length_b	119.840 Å
length_c	75.440 Å
angle_alpha	90.00 °
angle_beta	108.07 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	2.450 Å
resolution_low	61.540 Å
r_factor	0.2142
r_work	0.2114
r_free	0.2653

fit	/app/data/saxs_computation/qz/9qz1/9qz1.fit
pddf	/app/data/pr_computation/qz/9qz1/9qz1.pr.out
profile	/app/data/saxs_computation/qz/9qz1/9qz1.dat

MINPP1 from Bacteroides thetaiotaomicron E325N mutant complex with myo-inositol(1,2,4,5,6)pentaphosphate

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