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9u79

Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 100K, Soaked in potassium phosphate pH7.0 with MTA

Method: X-RAY DIFFRACTION D_max: 59.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9u79
deposition_date	2025-03-24
last_revision	2026-03-25
title	Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 100K, 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	18.90 Å
rg_electron	17.87 Å
i0	17565000.00
molecular_weight	31362.0 kDa
excluded_volume	39112 Å³
envelope_volume	43442 Å³
shell_volume	19873 Å³
envelope_diameter	60.7 Å
shell_rg	24.67 Å
envelope_rg	18.22 Å
shape_rg	17.87 Å
total_rg	18.81 Å
total_atoms	2201
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	59.8 Å
rg_real	18.77 Å
rg_real_error	0.24 Å
i0_real	1.7560e+07
i0_real_error	2.0420e+05
rg_reciprocal	18.79 Å
i0_reciprocal	17570000.0000
total_estimate	0.8920
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.9 Å
skewness	0.146
kurtosis	-0.378
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	5141000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.867; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

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	2360

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 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	TRIETHYLENE GLYCOL
formula_weight	150.2 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	132

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6. Citations (1)

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length_a	77.660 Å
length_b	77.660 Å
length_c	230.798 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	1.190 Å
resolution_low	43.790 Å
r_factor	—
r_work	0.1299
r_free	0.1572

fit	/app/data/saxs_computation/u7/9u79/9u79.fit
pddf	/app/data/pr_computation/u7/9u79/9u79.pr.out
profile	/app/data/saxs_computation/u7/9u79/9u79.dat