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1e77

COMPLEX OF ACTIVE MUTANT (Q365->C) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES WITH SUBSTRATE

Method: X-RAY DIFFRACTION D_max: 87.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e77
deposition_date	2000-08-24
title	COMPLEX OF ACTIVE MUTANT (Q365->C) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES WITH SUBSTRATE
keywords	OXIDOREDUCTASE, OXIDOREDUCTASE (CHOH(D) - NAD(P)), GLUCOSE METABOLISM; OXIDOREDUCTASE
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	25.43 Å
rg_electron	24.33 Å
i0	48994900.00
molecular_weight	54563.0 kDa
excluded_volume	68271 Å³
envelope_volume	82394 Å³
shell_volume	28334 Å³
envelope_diameter	90.4 Å
shell_rg	31.33 Å
envelope_rg	24.70 Å
shape_rg	24.33 Å
total_rg	25.08 Å
total_atoms	3854
n_residues	485
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	87.7 Å
rg_real	25.42 Å
rg_real_error	0.84 Å
i0_real	4.8990e+07
i0_real_error	8.8720e+05
rg_reciprocal	25.43 Å
i0_reciprocal	48990000.0000
total_estimate	0.8716
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.7 Å
skewness	0.389
kurtosis	-0.101
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	8138000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.781; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	GLUCOSE 6-PHOSPHATE 1-DEHYDROGENASE
formula_weight	54344.7 kDa
ec_number	1.1.1.49
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3962

VSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEACEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG

Source

organism	LEUCONOSTOC MESENTEROIDES
ncbi_taxonomy_id	1245
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	6-O-phosphono-beta-D-glucopyranose
formula_weight	260.1 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	108

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6. Citations (3)

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length_a	129.800 Å
length_b	44.300 Å
length_c	91.200 Å
angle_alpha	90.00 °
angle_beta	105.10 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.690 Å
resolution_low	25.000 Å
r_factor	0.1800
r_work	0.1800
r_free	0.2850

fit	/app/data/saxs_computation/e7/1e77/1e77.fit
pddf	/app/data/pr_computation/e7/1e77/1e77.pr.out
profile	/app/data/saxs_computation/e7/1e77/1e77.dat

COMPLEX OF ACTIVE MUTANT (Q365->C) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES WITH SUBSTRATE

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