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1f17

L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH NADH

Method: X-RAY DIFFRACTION D_max: 93.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f17
deposition_date	2000-05-18
title	L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH NADH
keywords	L-3-hydroxyacyl-CoA dehydrogenase complexed with NADH, 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	28.98 Å
rg_electron	28.09 Å
i0	65987600.00
molecular_weight	64891.0 kDa
excluded_volume	81852 Å³
envelope_volume	101060 Å³
shell_volume	30861 Å³
envelope_diameter	94.7 Å
shell_rg	34.81 Å
envelope_rg	28.00 Å
shape_rg	28.08 Å
total_rg	28.80 Å
total_atoms	4560
n_residues	584
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	93.5 Å
rg_real	29.04 Å
rg_real_error	0.70 Å
i0_real	6.5990e+07
i0_real_error	9.9400e+05
rg_reciprocal	29.02 Å
i0_reciprocal	65990000.0000
total_estimate	0.6938
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	28.9 Å
skewness	0.378
kurtosis	-0.493
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	14820000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.905; Stabil: 1.000; Sysdev: 0.156; Positv: 1.000; Valcen: 0.928; Smooth: 0.905

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	L-3-HYDROXYACYL-COA DEHYDROGENASE
formula_weight	33895.8 kDa
ec_number	1.1.1.35
mutation	F80C
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4778

SSSSTASASAKKIIVKHVTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDECVEKTLSTIATSTDAASVVHSTDLVVEAIVENLKVKNELFKRLDKFAAEHTIFASNTSSLQITSIANATTRQDRFAGLHFFNPVPVMKLVEVIKTPMTSQKTFESLVDFSKALGKHPVSCKDTPGFIVNRLLVPYLMEAIRLYERGDASKEDIDTAMKLGAGYPMGPFELLDYVGLDTTKFIVDGWHEMDAENPLHQPSPSLNKLVAENKFGKKTGEGFYKYKLEHHHHHH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
formula_weight	665.4 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	198

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6. Citations (2)

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length_a	50.190 Å
length_b	86.440 Å
length_c	168.600 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	2.300 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1960
r_free	0.2540

fit	/app/data/saxs_computation/f1/1f17/1f17.fit
pddf	/app/data/pr_computation/f1/1f17/1f17.pr.out
profile	/app/data/saxs_computation/f1/1f17/1f17.dat

L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH NADH

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