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1e7r

GDP 4-keto-6-deoxy-D-mannose epimerase reductase Y136E

Method: X-RAY DIFFRACTION D_max: 69.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e7r
deposition_date	2000-09-07
title	GDP 4-keto-6-deoxy-D-mannose epimerase reductase Y136E
keywords	EPIMERASE, REDUCTASE, SDR, RED, ISOMERASE; ISOMERASE
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	20.78 Å
rg_electron	19.78 Å
i0	24593000.00
molecular_weight	36527.0 kDa
excluded_volume	45101 Å³
envelope_volume	52172 Å³
shell_volume	21934 Å³
envelope_diameter	70.3 Å
shell_rg	26.54 Å
envelope_rg	20.01 Å
shape_rg	19.79 Å
total_rg	20.58 Å
total_atoms	2562
n_residues	314
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	69.6 Å
rg_real	20.72 Å
rg_real_error	0.40 Å
i0_real	2.4590e+07
i0_real_error	2.9490e+05
rg_reciprocal	20.73 Å
i0_reciprocal	24590000.0000
total_estimate	0.8707
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.2 Å
skewness	0.328
kurtosis	-0.159
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	4946000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.773; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	GDP-FUCOSE SYNTHETASE
formula_weight	36126.0 kDa
ec_number	5.1.3.-
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2917

MSKQRVFIAGHRGMVGSAIRRQLEQRGDVELVLRTRDELNLLDSRAVHDFFASERIDQVYLAAAKVGGIVANNTYPADFIYQNMMIESNIIHAAHQNDVNKLLFLGSSCIYPKLAKQPMAESELLQGTLEPTNEPEAIAKIAGIKLCESYNRQYGRDYRSVMPTNLYGPHDNFHPSNSHVIPALLRRFHEATAQSAPDVVVWGSGTPMREFLHVDDMAAASIHVMELAHEVWLENTQPMLSHINVGTGVDCTIRELAQTIAKVVGYKGRVVFDASKPDGTPRKLLDVTRLHQLGWYHEISLEAGLASTYQWFLENQDRFRG

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ACETYLPHOSPHATE
formula_weight	140.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	122.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	347

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6. Citations (1)

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length_a	103.300 Å
length_b	103.300 Å
length_c	75.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.600 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1390
r_free	0.1800

fit	/app/data/saxs_computation/e7/1e7r/1e7r.fit
pddf	/app/data/pr_computation/e7/1e7r/1e7r.pr.out
profile	/app/data/saxs_computation/e7/1e7r/1e7r.dat