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9u5h

Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 333K, Soaked in potassium phosphate pH7.0 with MTA

Method: X-RAY DIFFRACTION D_max: 64.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9u5h
deposition_date	2025-03-21
last_revision	2026-03-25
title	Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 333K, Soaked in potassium phosphate pH7.0 with MTA
keywords	MTAP, complex, phosphorylase, 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	18.93 Å
rg_electron	17.84 Å
i0	17171900.00
molecular_weight	30849.0 kDa
excluded_volume	38414 Å³
envelope_volume	43491 Å³
shell_volume	19903 Å³
envelope_diameter	60.6 Å
shell_rg	24.61 Å
envelope_rg	18.20 Å
shape_rg	17.85 Å
total_rg	18.76 Å
total_atoms	2167
n_residues	273
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	64.5 Å
rg_real	18.80 Å
rg_real_error	0.38 Å
i0_real	1.7170e+07
i0_real_error	2.1210e+05
rg_reciprocal	18.82 Å
i0_reciprocal	17170000.0000
total_estimate	0.7840
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	25.1 Å
skewness	0.138
kurtosis	-0.381
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	5302000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.731; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;S-methyl-5'-thioadenosine phosphorylase ;
formula_weight	30777.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2233

MFEITRPPGVRAHVGVIGGSGLYDPGIVENPVEVKVSTPYGNPSDFIVVGDVAGVKVAFLPRHGRGHRIPPHAINYRANIWALKALGVKWVISVSAVGSLREDYRPGDFVVPDQFIDMTKNRRHYTFYDGPVTVHVSMADPFCEDLRQRLIDSGRRLGYTVHERGTYVCIEGPRFSTRAESRVWKDVFKADIIGMTLVPEINLACEAQLCYATLAMVTDYDVWADRPVTAEEVERVMISNVERARRMLYDVIPKLAGEPELERCSCCRALDTAAI

Source

organism	Aeropyrum pernix K1
ncbi_taxonomy_id	272557
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	5'-DEOXY-5'-METHYLTHIOADENOSINE
formula_weight	297.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	52

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6. Citations (1)

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length_a	78.875 Å
length_b	78.875 Å
length_c	233.812 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	1.670 Å
resolution_low	44.410 Å
r_factor	—
r_work	0.1368
r_free	0.1644

fit	/app/data/saxs_computation/u5/9u5h/9u5h.fit
pddf	/app/data/pr_computation/u5/9u5h/9u5h.pr.out
profile	/app/data/saxs_computation/u5/9u5h/9u5h.dat

Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 333K, Soaked in potassium phosphate pH7.0 with MTA

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