SAXSdb — 9uay

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1. Structure Basics

entry_id	9uay
deposition_date	2025-04-01
last_revision	2026-03-11
title	Crystal structure of CmnI
keywords	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	32.07 Å
rg_electron	31.25 Å
i0	142788000.00
molecular_weight	95019.0 kDa
excluded_volume	119180 Å³
envelope_volume	155480 Å³
shell_volume	41387 Å³
envelope_diameter	101.6 Å
shell_rg	38.67 Å
envelope_rg	30.69 Å
shape_rg	31.22 Å
total_rg	31.98 Å
total_atoms	6719
n_residues	849
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	101.1 Å
rg_real	31.98 Å
rg_real_error	0.58 Å
i0_real	1.4280e+08
i0_real_error	2.3540e+06
rg_reciprocal	32.02 Å
i0_reciprocal	142800000.0000
total_estimate	0.8323
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	37.1 Å
skewness	0.241
kurtosis	-0.509
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	24540000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	CmnI
formula_weight	61568.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6862

MGSSHHHHHHSSGLVPRGSHMTTETPATTGAPATTGAPAPPGRAEIVAAVLPVFAEVLDAPDLTPDSDFFVHGGNSLLAIRVAGRVGRRLGRQVPPAGVLKHPTPDLLAAHLEEEFRGGGAPPIPAPRAGAEADRRPSTAQERVWLLHQLDPDRLDHLVTVALDVAGTVDPAAFTAAWTAVVRRHEALRSRFVKADDDRVAVVVDAEAAPEISVLDLARFPAPVRDRLAEERVRLLRTTPIRLDTGPLARFALLRLADRRYRIELAVHHIVCDGWSLDTLLADFLDAYGRALAGRSPALPPPAVGFADYVAWERDVESSRWPDMAVRLARRFADRPADLPLPVDPVDVPAHEDGDDVTVHAPPGLAAAVERARTSFGHTALTFHLTALGVLLARITGVDDLVVAVPVAGRAQTEHEDLVGLFVNTALARVRLGGTSDVRVLLERNRDEVDELVDCQTFPFDRLVDLLGARRAGTRVPLARVSLAVQNFDDPGTPAPELGFTWQFRDPPERQSKFDLAFTVSDTDGLRLTVTYRPSLFRRATVAAWAGQYLVALEHVVRGVADPEGSAR

Source

organism	Saccharothrix mutabilis subsp. capreolus
ncbi_taxonomy_id	66854
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL
formula_weight	266.3 kDa
src_method	nat
entity_count	2

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	5

Entity 4 non-polymer

description	TETRAETHYLENE GLYCOL
formula_weight	194.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	2-(2-ETHOXYETHOXY)ETHANOL
formula_weight	134.2 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	130

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6. Citations (1)

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length_a	167.888 Å
length_b	129.520 Å
length_c	61.313 Å
angle_alpha	90.00 °
angle_beta	95.15 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.170 Å
resolution_low	27.650 Å
r_factor	0.2164
r_work	0.2149
r_free	0.2455

fit	/app/data/saxs_computation/ua/9uay/9uay.fit
pddf	/app/data/pr_computation/ua/9uay/9uay.pr.out
profile	/app/data/saxs_computation/ua/9uay/9uay.dat

Crystal structure of CmnI

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