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9xyq

Crystal structure of juvenile hormone acid methyltransferase CfJHAMT in complex with SAH (crystal form 2)

Method: X-RAY DIFFRACTION D_max: 194.1 Å Quality: SUSPICIOUS

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xyq
deposition_date	2025-08-26
title	Crystal structure of juvenile hormone acid methyltransferase CfJHAMT in complex with SAH (crystal form 2)
keywords	juvenile hormone, methyltransferase, SAH, JHAMT, 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	56.64 Å
rg_electron	58.12 Å
i0	195021000.00
molecular_weight	118070.0 kDa
excluded_volume	148770 Å³
envelope_volume	230250 Å³
shell_volume	38886 Å³
envelope_diameter	204.0 Å
shell_rg	47.00 Å
envelope_rg	57.49 Å
shape_rg	58.14 Å
total_rg	57.62 Å
total_atoms	8297
n_residues	989
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	194.1 Å
rg_real	59.03 Å
rg_real_error	1.02 Å
i0_real	1.9530e+08
i0_real_error	3.9300e+06
rg_reciprocal	55.70 Å
i0_reciprocal	194400000.0000
total_estimate	0.4975
solution_quality	SUSPICIOUS a SUSPICIOUS solution
n_peaks	1
r_peak_primary	34.7 Å
skewness	0.567
kurtosis	-0.566
angular_range	— – 0.1400 Å⁻¹
current_alpha	1.5060
highest_alpha	6174000.0000
n_real_points	29
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.446; Stabil: 0.964; Sysdev: 0.000; Positv: 1.000; Valcen: 0.207; Smooth: 0.030

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	juvenile hormone acid methyltransferase JHAMT
formula_weight	32326.9 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8315

GSHMNDAELYTKNNALQKRDTLHCLEDTAMKIRWKEYGARIIDIGCGDGSTTAEILKLFLPKSFDALIGGDISETMVNYANDTYGTEQLMFMQLNIEGKLPEELKERFDHAFSFFTLHWIKRQRLAFTNIYNLLAERGSCLLLFLGHTPIYDVFRVLARNQRWSAYLKEVDKYVSPYHDSQYPEREIMNLMTSIGFVNVDVRVQEKSFTFNDWDNLRRSVKAVTPFKIPEDKWQDYLDDYVEVLKDMKMTDFTNNNTKEPFLVKFSYKVLLAVGNK

Source

organism	Choristoneura fumiferana
ncbi_taxonomy_id	7141
host_organism	;Escherichia coli 'BL21-Gold(DE3)pLysS AG' ;

Entity 2 non-polymer

description	S-ADENOSYL-L-HOMOCYSTEINE
formula_weight	384.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	nat
entity_count	15

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	18

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6. Citations (1)

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length_a	40.471 Å
length_b	193.835 Å
length_c	34.788 Å
angle_alpha	90.02 °
angle_beta	90.13 °
angle_gamma	89.98 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.840 Å
resolution_low	48.460 Å
r_factor	0.1813
r_work	0.1794
r_free	0.2147

fit	/app/data/saxs_computation/xy/9xyq/9xyq.fit
pddf	/app/data/pr_computation/xy/9xyq/9xyq.pr.out
profile	/app/data/saxs_computation/xy/9xyq/9xyq.dat