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1b8u

MALATE DEHYDROGENASE FROM AQUASPIRILLUM ARCTICUM

Method: X-RAY DIFFRACTION D_max: 62.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b8u
deposition_date	1999-02-02
title	MALATE DEHYDROGENASE FROM AQUASPIRILLUM ARCTICUM
keywords	DEHYDROGENASE, OXIDOREDUCTASE; 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	20.28 Å
rg_electron	19.22 Å
i0	22759700.00
molecular_weight	35840.0 kDa
excluded_volume	44650 Å³
envelope_volume	50061 Å³
shell_volume	21419 Å³
envelope_diameter	66.1 Å
shell_rg	25.98 Å
envelope_rg	19.47 Å
shape_rg	19.21 Å
total_rg	20.13 Å
total_atoms	2514
n_residues	327
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	62.0 Å
rg_real	20.18 Å
rg_real_error	0.26 Å
i0_real	2.2760e+07
i0_real_error	2.4670e+05
rg_reciprocal	20.20 Å
i0_reciprocal	22760000.0000
total_estimate	0.9012
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.8 Å
skewness	0.198
kurtosis	-0.414
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	4795000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.951

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (MALATE DEHYDROGENASE)
formula_weight	35287.3 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2576

MAKTPMRVAVTGAAGQICYSLLFRIANGDMLGKDQPVILQLLEIPNEKAQKALQGVMMEIDDCAFPLLAGMTAHADPMTAFKDADVALLVGARPRGPGMERKDLLEANAQIFTVQGKAIDAVASRNIKVLVVGNPANTNAYIAMKSAPSLPAKNFTAMLRLDHNRALSQIAAKTGKPVSSIEKLFVWGNHSPTMYADYRYAQIDGASVKDMINDDAWNRDTFLPTVGKRGAAIIDARGVSSAASAANAAIDHIHDWVLGTAGKWTTMGIPSDGSYGIPEGVIFGFPVTTENGEYKIVQGLSIDAFSQERINVTLNELLEEQNGVQHLLG

Entity 2 non-polymer

description	OXALOACETATE ION
formula_weight	131.1 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	62

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6. Citations (1)

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length_a	58.300 Å
length_b	101.700 Å
length_c	52.760 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.500 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1980
r_free	—

fit	/app/data/saxs_computation/b8/1b8u/1b8u.fit
pddf	/app/data/pr_computation/b8/1b8u/1b8u.pr.out
profile	/app/data/saxs_computation/b8/1b8u/1b8u.dat

MALATE DEHYDROGENASE FROM AQUASPIRILLUM ARCTICUM

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