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9qci

Crystal structure of PhoC mutant acid phosphatase

Method: X-RAY DIFFRACTION D_max: 101.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qci
deposition_date	2025-03-04
title	Crystal structure of PhoC mutant acid phosphatase
keywords	Acid phosphatase, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
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	29.54 Å
rg_electron	29.25 Å
i0	91929200.00
molecular_weight	74222.0 kDa
excluded_volume	92179 Å³
envelope_volume	111940 Å³
shell_volume	32910 Å³
envelope_diameter	108.1 Å
shell_rg	35.56 Å
envelope_rg	29.31 Å
shape_rg	29.21 Å
total_rg	29.92 Å
total_atoms	10314
n_residues	675
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	101.3 Å
rg_real	29.66 Å
rg_real_error	1.16 Å
i0_real	9.1930e+07
i0_real_error	1.6180e+06
rg_reciprocal	29.61 Å
i0_reciprocal	91930000.0000
total_estimate	0.7848
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	30.0 Å
skewness	0.459
kurtosis	-0.375
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	14180000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.761; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.927; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Major phosphate-irrepressible acid phosphatase
formula_weight	27087.6 kDa
ec_number	3.1.3.2
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	10665

MKKNIIAGCLFSLFSLSALAAIPAGNDATTKPDLYYLKNEQAIDSLKLLPPPPEVGSIQFLNDQAMYEKGRMLRNTERGKQAQADADLAEGDVATAFSGAFGYPITEKDSPELYKLLTNMIEDAGDLATRSAKEHYMRIRPFAFYGTETCATKLQKKLSTNGSYPSGHTSTGWATALVLAEVNPANQDAILERGYQLGQSRVICGYHWQSDVDAARIVGSAAVATLHSDPAFQAQLAKAKQEFAQKSQK

Source

organism	Morganella morganii
ncbi_taxonomy_id	582
host_organism	Escherichia coli

Entity 2 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	134

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6. Citations (2)

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length_a	117.716 Å
length_b	117.716 Å
length_c	97.625 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	P 32 2 1
int_tables_number	154
crystal_system	trigonal

resolution	2.000 Å
resolution_low	70.510 Å
r_factor	0.1877
r_work	0.1862
r_free	0.2251

fit	/app/data/saxs_computation/qc/9qci/9qci.fit
pddf	/app/data/pr_computation/qc/9qci/9qci.pr.out
profile	/app/data/saxs_computation/qc/9qci/9qci.dat