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12kh

The Condensation Domain from Coprococcus Eutactus, OaaC

Method: X-RAY DIFFRACTION D_max: 97.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	12kh
deposition_date	2026-04-09
last_revision	2026-04-29
title	The Condensation Domain from Coprococcus Eutactus, OaaC
keywords	Condensation, NRPS, fatty acid, small molecule amine, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
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	30.98 Å
rg_electron	30.04 Å
i0	190885000.00
molecular_weight	108710.0 kDa
excluded_volume	135340 Å³
envelope_volume	167160 Å³
shell_volume	44925 Å³
envelope_diameter	98.2 Å
shell_rg	38.47 Å
envelope_rg	30.08 Å
shape_rg	30.07 Å
total_rg	30.66 Å
total_atoms	7621
n_residues	925
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	97.7 Å
rg_real	30.87 Å
rg_real_error	0.65 Å
i0_real	1.9090e+08
i0_real_error	3.0600e+06
rg_reciprocal	30.92 Å
i0_reciprocal	190900000.0000
total_estimate	0.9013
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	36.4 Å
skewness	0.240
kurtosis	-0.506
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	63780000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.956

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Condensation Domain Protein
formula_weight	54302.7 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7956

GHMPRKYYPLTPSQKIHFKPIIEFGTQQVANISICMTLQAPLDFGLLKKCIQLEYERYECLRIRFTKVDQNGEVRQYVVSRDDRDIDYENLSWLSGDDAYHRMEEWSRIPFDGDNIPMNVIKMISLPGGYNGLYIKIDHRLMDSCGAIVMVNDIMELYCHYKFGTPYPEDMASFTDMVERDLKKSTDEKRVSKDRMYWQNVLEENGEPIYSDIQGQRILQESRRLHNDKSLRAADQEINDLSVATKNYHLDAEPTQNLLDFCMNNHISMTNLILMGIRTYLSKANGGQTDISIRNYVSRRSTHAEWVSGGSRAMAYPCRTIIDPDTEFLDAVFMIQDVQNHVYRHCNYDPELLSDQMKEMFHTPPHTTYESVGLTYQPLPIRLKNPHLENISVRSMWIPNGTSKQKIYLTVMHSANDLGLNFYFRYQTASLSEQDIELFYYYLMKIIFKGIAEPEMTVGEIIECI

Source

organism	Coprococcus eutactus ATCC 27759
ncbi_taxonomy_id	411474
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	13

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	9

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	325

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6. Citations (1)

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length_a	122.550 Å
length_b	122.550 Å
length_c	233.753 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3
int_tables_number	146
crystal_system	trigonal

resolution	2.150 Å
resolution_low	51.750 Å
r_factor	0.2032
r_work	0.2013
r_free	0.2389

fit	/app/data/saxs_computation/2k/12kh/12kh.fit
pddf	/app/data/pr_computation/2k/12kh/12kh.pr.out
profile	/app/data/saxs_computation/2k/12kh/12kh.dat

The Condensation Domain from Coprococcus Eutactus, OaaC

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