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1emd

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF ESCHERICHIA COLI MALATE DEHYDROGENASE, CITRATE AND NAD AT 1.9 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 61.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1emd
deposition_date	1993-03-25
title	CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF ESCHERICHIA COLI MALATE DEHYDROGENASE, CITRATE AND NAD AT 1.9 ANGSTROMS RESOLUTION
keywords	OXIDOREDUCTASE(NAD(A)-CHOH(D)); OXIDOREDUCTASE(NAD(A)-CHOH(D))
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	19.70 Å
rg_electron	18.63 Å
i0	18876300.00
molecular_weight	33276.0 kDa
excluded_volume	41888 Å³
envelope_volume	47300 Å³
shell_volume	20843 Å³
envelope_diameter	61.5 Å
shell_rg	25.32 Å
envelope_rg	18.87 Å
shape_rg	18.64 Å
total_rg	19.53 Å
total_atoms	2335
n_residues	312
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	61.1 Å
rg_real	19.56 Å
rg_real_error	0.40 Å
i0_real	1.8880e+07
i0_real_error	2.2410e+05
rg_reciprocal	19.58 Å
i0_reciprocal	18880000.0000
total_estimate	0.8123
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.9 Å
skewness	0.157
kurtosis	-0.369
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	5210000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	MALATE DEHYDROGENASE
formula_weight	32453.3 kDa
ec_number	1.1.1.37
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2421

MKVAVLGAAGGIGQALALLLKTQLPSGSELSLYDIAPVTPGVAVDLSHIPTAVKIKGFSGEDATPALEGADVVLISAGVRRKPGMDRSDLFNVNAGIVKNLVQQVAKTCPKACIGIITNPVNTTVAIAAEVLKKAGVYDKNKLFGVTTLDIIRSNTFVAELKGKQPGEVEVPVIGGHSGVTILPLLSQVPGVSFTEQEVADLTKRIQNAGTEVVEAKAGGGSATLSMGQAAARFGLSLVRALQGEQGVVECAYVEGDGQYARFFSQPLLLGKNGVEERKSIGTLSAFEQNALEGMLDTLKKDIALGQEFVNK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562

Entity 2 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	86

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6. Citations (1)

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length_a	116.800 Å
length_b	43.050 Å
length_c	83.740 Å
angle_alpha	90.00 °
angle_beta	130.10 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.900 Å
resolution_low	— Å
r_factor	0.1950
r_work	0.1950
r_free	—

fit	/app/data/saxs_computation/em/1emd/1emd.fit
pddf	/app/data/pr_computation/em/1emd/1emd.pr.out
profile	/app/data/saxs_computation/em/1emd/1emd.dat