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1f12

L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA

Method: X-RAY DIFFRACTION D_max: 94.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f12
deposition_date	2000-05-18
title	L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA
keywords	L-3-hydroxyacyl-CoA complexed with 3-hydroxybutyryl-CoA, 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	28.70 Å
rg_electron	27.83 Å
i0	64780300.00
molecular_weight	64414.0 kDa
excluded_volume	81394 Å³
envelope_volume	101840 Å³
shell_volume	31164 Å³
envelope_diameter	95.9 Å
shell_rg	34.66 Å
envelope_rg	27.87 Å
shape_rg	27.83 Å
total_rg	28.56 Å
total_atoms	4526
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	94.0 Å
rg_real	28.76 Å
rg_real_error	0.66 Å
i0_real	6.4780e+07
i0_real_error	9.8120e+05
rg_reciprocal	28.73 Å
i0_reciprocal	64780000.0000
total_estimate	0.8884
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.8 Å
skewness	0.397
kurtosis	-0.403
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	12160000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.944; Smooth: 0.946

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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	4713

SSSSTASASAKKIIVKHVTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDECVEKTLSTIATSTDAASVVHSTDLVVEAIVENLKVKNELFKRLDKFAAEHTIFASNTSSLQITSIANATTRQDRFAGLHFFNPVPVMKLVEVIKTPMTSQKTFESLVDFSKALGKHPVSCKDTPGFIVNRLLVPYLMEAIRLYERGDASKEDIDTAMKLGAGYPMGPFELLDYVGLDTTKFIVDGWHEMDAENPLHQPSPSLNKLVAENKFGKKTGEGFYKYKLEHHHHHH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	3-HYDROXYBUTANOYL-COENZYME A
formula_weight	853.6 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	187

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6. Citations (2)

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length_a	50.040 Å
length_b	88.100 Å
length_c	167.220 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	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2120
r_free	0.2650

fit	/app/data/saxs_computation/f1/1f12/1f12.fit
pddf	/app/data/pr_computation/f1/1f12/1f12.pr.out
profile	/app/data/saxs_computation/f1/1f12/1f12.dat

L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA

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