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1cg6

;STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-DEOXY-5'-METHYLTHIOADENOSINE AND SULFATE AT 1.7 A RESOLUTION ;

Method: X-RAY DIFFRACTION D_max: 59.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cg6
deposition_date	1999-03-27
title	;STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-DEOXY-5'-METHYLTHIOADENOSINE AND SULFATE AT 1.7 A RESOLUTION ;
keywords	METHYLTHIOADENOSINE PHOSPHORYLASE, PURINE NUCLEOSIDE PHOSPHORYLASE, PURINE SALVAGE, METHYLTHIOADENOSINE, SULFATE, 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	19.05 Å
rg_electron	17.90 Å
i0	15939800.00
molecular_weight	29916.0 kDa
excluded_volume	37426 Å³
envelope_volume	43133 Å³
shell_volume	19747 Å³
envelope_diameter	61.0 Å
shell_rg	24.59 Å
envelope_rg	18.21 Å
shape_rg	17.92 Å
total_rg	18.83 Å
total_atoms	2091
n_residues	268
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	59.4 Å
rg_real	18.92 Å
rg_real_error	0.27 Å
i0_real	1.5940e+07
i0_real_error	2.0210e+05
rg_reciprocal	18.94 Å
i0_reciprocal	15940000.0000
total_estimate	0.9002
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.7 Å
skewness	0.117
kurtosis	-0.472
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	4496000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.903; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 1.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;PROTEIN (5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE) ;
formula_weight	31277.1 kDa
ec_number	2.4.2.28
mutation	ILE56VAL
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2244

MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 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	153

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6. Citations (1)

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length_a	122.830 Å
length_b	122.830 Å
length_c	45.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 3 2 1
int_tables_number	150
crystal_system	—

resolution	1.700 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.2020
r_free	0.2250

fit	/app/data/saxs_computation/cg/1cg6/1cg6.fit
pddf	/app/data/pr_computation/cg/1cg6/1cg6.pr.out
profile	/app/data/saxs_computation/cg/1cg6/1cg6.dat

;STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-DEOXY-5'-METHYLTHIOADENOSINE AND SULFATE AT 1.7 A RESOLUTION ;

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