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1ek4

BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH DODECANOIC ACID TO 1.85 RESOLUTION

Method: X-RAY DIFFRACTION D_max: 130.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ek4
deposition_date	2000-03-06
title	BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH DODECANOIC ACID TO 1.85 RESOLUTION
keywords	fatty acid synthase, thiolase fold, Claisen condensation, fatty acid substrate complex, TRANSFERASE; TRANSFERASE
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	40.16 Å
rg_electron	39.98 Å
i0	456657000.00
molecular_weight	171190.0 kDa
excluded_volume	212440 Å³
envelope_volume	260220 Å³
shell_volume	53413 Å³
envelope_diameter	132.6 Å
shell_rg	46.47 Å
envelope_rg	39.67 Å
shape_rg	39.98 Å
total_rg	40.28 Å
total_atoms	11984
n_residues	1624
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	130.2 Å
rg_real	40.21 Å
rg_real_error	1.47 Å
i0_real	4.5670e+08
i0_real_error	8.7800e+06
rg_reciprocal	40.16 Å
i0_reciprocal	456600000.0000
total_estimate	0.8732
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	36.7 Å
skewness	0.280
kurtosis	-0.766
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	210500000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.855; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.905; Smooth: 0.878

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I
formula_weight	44073.7 kDa
ec_number	2.3.1.41
mutation	C163S, MRGSHHHHHHGS N-TERMINAL HIS-TAG (NOT IN MODEL)
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	12770

MRGSHHHHHHGSMKRVVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGNVKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPRFQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSASATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACEFDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHGVDTPIDYLNSHGTSTPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSINIEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRKLKD

Entity 2 non-polymer

description	LAURIC ACID
formula_weight	200.3 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	786

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6. Citations (2)

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length_a	59.640 Å
length_b	142.260 Å
length_c	213.740 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.850 Å
resolution_low	28.920 Å
r_factor	—
r_work	0.1730
r_free	0.1960

fit	/app/data/saxs_computation/ek/1ek4/1ek4.fit
pddf	/app/data/pr_computation/ek/1ek4/1ek4.pr.out
profile	/app/data/saxs_computation/ek/1ek4/1ek4.dat

BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH DODECANOIC ACID TO 1.85 RESOLUTION

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)