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1f0p

MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B WITH TREHALOSE

Method: X-RAY DIFFRACTION D_max: 55.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f0p
deposition_date	2000-05-16
title	MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B WITH TREHALOSE
keywords	;MYCOLYL TRANSFERASE; ANTIGEN 85B; TREHALOSE BINDING, Structural Genomics, PSI, Protein Structure Initiative, TB Structural Genomics Consortium, TBSGC, 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	18.52 Å
rg_electron	17.35 Å
i0	17842700.00
molecular_weight	31744.0 kDa
excluded_volume	39434 Å³
envelope_volume	41928 Å³
shell_volume	19614 Å³
envelope_diameter	55.0 Å
shell_rg	24.16 Å
envelope_rg	17.57 Å
shape_rg	17.33 Å
total_rg	18.31 Å
total_atoms	2236
n_residues	284
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	55.1 Å
rg_real	18.36 Å
rg_real_error	0.24 Å
i0_real	1.7840e+07
i0_real_error	2.1030e+05
rg_reciprocal	18.39 Å
i0_reciprocal	17840000.0000
total_estimate	0.6828
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	24.2 Å
skewness	0.016
kurtosis	-0.526
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	4071000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.914; Stabil: 0.995; Sysdev: 0.391; Positv: 1.000; Valcen: 0.973; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	ANTIGEN 85-B
formula_weight	30680.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2459

FSRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDINTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGMGPSLIGLAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNELGGANIPAEFLENFVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAG

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Mycobacterium smegmatis

Entity 2 branched

description	alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
formula_weight	342.3 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
formula_weight	195.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	223

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6. Citations (2)

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length_a	73.210 Å
length_b	73.210 Å
length_c	92.544 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.1940
r_work	0.1916
r_free	0.2840

fit	/app/data/saxs_computation/f0/1f0p/1f0p.fit
pddf	/app/data/pr_computation/f0/1f0p/1f0p.pr.out
profile	/app/data/saxs_computation/f0/1f0p/1f0p.dat