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1c22

E. COLI METHIONINE AMINOPEPTIDASE: TRIFLUOROMETHIONINE COMPLEX

Method: X-RAY DIFFRACTION D_max: 57.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c22
deposition_date	1999-07-22
title	E. COLI METHIONINE AMINOPEPTIDASE: TRIFLUOROMETHIONINE COMPLEX
keywords	PRODUCT COMPLEX, 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	18.17 Å
rg_electron	17.22 Å
i0	14833900.00
molecular_weight	28690.0 kDa
excluded_volume	35694 Å³
envelope_volume	39233 Å³
shell_volume	18633 Å³
envelope_diameter	56.5 Å
shell_rg	23.78 Å
envelope_rg	17.51 Å
shape_rg	17.26 Å
total_rg	18.05 Å
total_atoms	2002
n_residues	262
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	57.8 Å
rg_real	18.06 Å
rg_real_error	0.31 Å
i0_real	1.4830e+07
i0_real_error	1.8150e+05
rg_reciprocal	18.07 Å
i0_reciprocal	14830000.0000
total_estimate	0.8910
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.6 Å
skewness	0.153
kurtosis	-0.424
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	3762000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.865; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	METHIONINE AMINOPEPTIDASE
formula_weight	29210.6 kDa
ec_number	3.4.11.18
mutation	R175Q
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2105

AISIKTPEDIEKMRVAGRLAAEVLEMIEPYVKPGVSTGELDRICNDYIVNEQHAVSACLGYHGYPKSVCISINEVVCHGIPDDAKLLKDGDIVNIDVTVIKDGFHGDTSKMFIVGKPTIMGERLCRITQESLYLALRMVKPGINLREIGAAIQKFVEAEGFSVVREYCGHGIGQGFHEEPQVLHYDSRETNVVLKPGMTFTIEPMVNAGKKEIRTMKDGWTVKTKDRSLSAQYEHTIVVTDNGCEILTLRKDDTIPAIISHDE

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID
formula_weight	203.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	103

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6. Citations (1)

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length_a	39.128 Å
length_b	67.604 Å
length_c	48.826 Å
angle_alpha	90.00 °
angle_beta	111.05 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.750 Å
resolution_low	27.100 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/c2/1c22/1c22.fit
pddf	/app/data/pr_computation/c2/1c22/1c22.pr.out
profile	/app/data/saxs_computation/c2/1c22/1c22.dat