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1elx

E. COLI ALKALINE PHOSPHATASE MUTANT (S102A)

Method: X-RAY DIFFRACTION D_max: 100.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1elx
deposition_date	1998-02-10
title	E. COLI ALKALINE PHOSPHATASE MUTANT (S102A)
keywords	ALKALINE PHOSPHATASE, HYDROLASE; HYDROLASE
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	28.34 Å
rg_electron	27.79 Å
i0	153725000.00
molecular_weight	94533.0 kDa
excluded_volume	116580 Å³
envelope_volume	132460 Å³
shell_volume	39160 Å³
envelope_diameter	107.2 Å
shell_rg	35.74 Å
envelope_rg	28.10 Å
shape_rg	27.80 Å
total_rg	28.41 Å
total_atoms	6622
n_residues	898
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	100.7 Å
rg_real	28.39 Å
rg_real_error	1.04 Å
i0_real	1.5370e+08
i0_real_error	2.7790e+06
rg_reciprocal	28.37 Å
i0_reciprocal	153700000.0000
total_estimate	0.8404
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.4 Å
skewness	0.503
kurtosis	0.076
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	37110000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.655; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	ALKALINE PHOSPHATASE
formula_weight	47078.4 kDa
ec_number	3.1.3.1
mutation	S102A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7227

TPEMPVLENRAAQGDITAPGGARRLTGDQTAALRDSLSDKPAKNIILLIGDGMGDSEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTGKPDYVTDAAASATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQDATPAALVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARADVTLGGGAKTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQQKPLLGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMTDKAIELLSKNEKGFFLQVEGASIDKQDHAANPCGQIGETVDLDEAVQRALEFAKKEGNTLVIVTADHAHASQIVAPDTKAPGLTQALNTKDGAVMVMSYGNSEEDSQEHTGSQLRIAAYGPHAANVVGLTDQTDLFYTMKAALGLK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	605

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6. Citations (2)

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length_a	163.620 Å
length_b	163.620 Å
length_c	138.880 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	24

space_group	P 63 2 2
int_tables_number	182
crystal_system	—

resolution	2.600 Å
resolution_low	9.000 Å
r_factor	0.1580
r_work	0.1580
r_free	0.2070

fit	/app/data/saxs_computation/el/1elx/1elx.fit
pddf	/app/data/pr_computation/el/1elx/1elx.pr.out
profile	/app/data/saxs_computation/el/1elx/1elx.dat