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1d8c

MALATE SYNTHASE G COMPLEXED WITH MAGNESIUM AND GLYOXYLATE

Method: X-RAY DIFFRACTION D_max: 82.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d8c
deposition_date	1999-10-22
title	MALATE SYNTHASE G COMPLEXED WITH MAGNESIUM AND GLYOXYLATE
keywords	ALPHA-BETA BARREL, TIM BARREL, GLYOXYLATE CYCLE, ENOLIZATION, CONDENSATION, CONCERTED ACID-BASE CATALYSIS, LYASE; LYASE
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	27.00 Å
rg_electron	26.08 Å
i0	104929000.00
molecular_weight	77468.0 kDa
excluded_volume	95188 Å³
envelope_volume	111640 Å³
shell_volume	34996 Å³
envelope_diameter	88.2 Å
shell_rg	34.11 Å
envelope_rg	26.33 Å
shape_rg	26.16 Å
total_rg	26.59 Å
total_atoms	5374
n_residues	688
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	82.9 Å
rg_real	26.90 Å
rg_real_error	0.44 Å
i0_real	1.0490e+08
i0_real_error	1.5360e+06
rg_reciprocal	26.93 Å
i0_reciprocal	104900000.0000
total_estimate	0.9056
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.3 Å
skewness	0.251
kurtosis	-0.425
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	26300000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.943; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.940

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	MALATE SYNTHASE G
formula_weight	81643.9 kDa
ec_number	4.1.3.2
mutation	S2A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5719

MAQTITQSRLRIDANFKRFVDEEVLPGTGLDAAAFWRNFDEIVHDLAPENRQLLAERDRIQAALDEWHRSNPGPVKDKAAYKSFLRELGYLVPQPERVTVETTGIDSEITSQAGPQLVVPAMNARYALNAANARWGSLYDALYGSDIIPQEGAMVSGYDPQRGEQVIAWVRRFLDESLPLENGSYQDVVAFKVVDKQLRIQLKNGKETTLRTPAQFVGYRGDAAAPTCILLKNNGLHIELQIDANGRIGKDDPAHINDVIVEAAISTILDCEDSVAAVDAEDKILLYRNLLGLMQGTLQEKMEKNGRQIVRKLNDDRHYTAADGSEISLHGRSLLFIRNVGHLMTIPVIWDSEGNEIPEGILDGVMTGAIALYDLKVQKNSRTGSVYIVKPKMHGPQEVAFANKLFTRIETMLGMAPNTLKMGIMDEERRTSLNLRSCIAQARNRVAFINTGFLDRTGDEMHSVMEAGPMLRKNQMKSTPWIKAYERNNVLSGLFCGLRGKAQIGKGMWAMPDLMADMYSQKGDQLRAGANTAWVPSPTAATLHALHYHQTNVQSVQANIAQTEFNAEFEPLLDDLLTIPVAENANWSAQEIQQELDNNVQGILGYVVRWVEQGIGCSKVPDIHNVALMEDRATLRISSQHIANWLRHGILTKEQVQASLENMAKVVDQQNAGDPAYRPMAGNFANSCAFKAASDLIFLGVKQPNGYTEPLLHAWRLREKESH

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	sorbitol
formula_weight	182.2 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	5

Entity 5 non-polymer

description	GLYOXYLIC ACID
formula_weight	74.0 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	345

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6. Citations (1)

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length_a	73.800 Å
length_b	88.700 Å
length_c	109.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/d8/1d8c/1d8c.fit
pddf	/app/data/pr_computation/d8/1d8c/1d8c.pr.out
profile	/app/data/saxs_computation/d8/1d8c/1d8c.dat