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1cnz

3-ISOPROPYLMALATE DEHYDROGENASE (IPMDH) FROM SALMONELLA TYPHIMURIUM

Method: X-RAY DIFFRACTION D_max: 94.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cnz
deposition_date	1999-05-24
title	3-ISOPROPYLMALATE DEHYDROGENASE (IPMDH) FROM SALMONELLA TYPHIMURIUM
keywords	OXIDOREDUCTASE, DEHYDROGENASE, LEUCINE BIOSYNTHETIC PATHWAY, NAD-DEPENDANT ENZYME; 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	28.20 Å
rg_electron	27.20 Å
i0	107701000.00
molecular_weight	79884.0 kDa
excluded_volume	99148 Å³
envelope_volume	117730 Å³
shell_volume	35934 Å³
envelope_diameter	98.9 Å
shell_rg	34.84 Å
envelope_rg	27.16 Å
shape_rg	27.21 Å
total_rg	27.86 Å
total_atoms	5594
n_residues	726
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	94.5 Å
rg_real	28.18 Å
rg_real_error	0.67 Å
i0_real	1.0770e+08
i0_real_error	1.7140e+06
rg_reciprocal	28.19 Å
i0_reciprocal	107700000.0000
total_estimate	0.8761
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	33.8 Å
skewness	0.379
kurtosis	-0.237
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	28770000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.984

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (3-ISOPROPYLMALATE DEHYDROGENASE)
formula_weight	39557.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6229

MSKNYHIAVLPGDGIGPEVMAQALKVMDAVRSRFDMRITTSHYDVGGIAIDNHGHPLPKATVEGCEQADAILFGSVGGPKWENLPPESQPERGALLPLRKHFKLFSNLRPAKLYQGLEAFCPLRADIAANGFDILCVRELTGGIYFGQPKGREGSGQYEKAFDTEVYHRFEIERIARIAFESARKRRRKVTSIDKANVLQSSILWREIVNDVAKTYPDVELAHMYIDNATMQLIKDPSQFDVLLCSNLFGDILSDECAMITGSMGMLPSASLNEQGFGLYEPAGGSAPDIAGKNIANPIAQILSLALLLRYSLDANDAATAIEQAINRALEEGVRTGDLARGAAAVSTDEMGDIIARYVAEGV

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	8

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	635

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6. Citations (1)

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length_a	75.900 Å
length_b	100.800 Å
length_c	109.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.760 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1980
r_free	0.2570

fit	/app/data/saxs_computation/cn/1cnz/1cnz.fit
pddf	/app/data/pr_computation/cn/1cnz/1cnz.pr.out
profile	/app/data/saxs_computation/cn/1cnz/1cnz.dat

3-ISOPROPYLMALATE DEHYDROGENASE (IPMDH) FROM SALMONELLA TYPHIMURIUM

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