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9qcj

Crystal structure of PhoC wild type acid phosphatase

Method: X-RAY DIFFRACTION D_max: 97.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qcj
deposition_date	2025-03-04
title	Crystal structure of PhoC wild type 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	29.45 Å
rg_electron	29.06 Å
i0	88762100.00
molecular_weight	72215.0 kDa
excluded_volume	89386 Å³
envelope_volume	109020 Å³
shell_volume	32246 Å³
envelope_diameter	100.8 Å
shell_rg	35.36 Å
envelope_rg	29.07 Å
shape_rg	29.04 Å
total_rg	29.66 Å
total_atoms	9989
n_residues	663
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	97.3 Å
rg_real	29.57 Å
rg_real_error	0.66 Å
i0_real	8.8760e+07
i0_real_error	1.1390e+06
rg_reciprocal	29.52 Å
i0_reciprocal	88760000.0000
total_estimate	0.8754
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	32.4 Å
skewness	0.450
kurtosis	-0.392
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	10770000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.848; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.951; Smooth: 0.883

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Major phosphate-irrepressible acid phosphatase
formula_weight	27074.5 kDa
ec_number	3.1.3.2
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	10081

MKKNIIAGCLFSLFSLSALAAIPAGNDATTKPDLYYLKNEQAIDSLKLLPPPPEVGSIQFLNDQAMYEKGRMLRNTERGKQAQADADLAAGDVATAFSGAFGYPITEKDSPELYKLLTNMIEDAGDLATRSAKEHYMRIRPFAFYGTETCNTKDQKKLSTNGSYPSGHTSTGWATALVLAEVNPANQDAILERGYQLGQSRVICGYHWQSDVDAARIVGSAAVATLHSDPAFQAQLAKAKQEFAQKSQK

Source

organism	Morganella morganii
ncbi_taxonomy_id	582
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	78

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6. Citations (2)

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length_a	116.380 Å
length_b	116.380 Å
length_c	94.540 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	2.240 Å
resolution_low	50.390 Å
r_factor	0.2064
r_work	0.2046
r_free	0.2360

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

Crystal structure of PhoC wild type acid phosphatase

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