SAXSdb — 9s2u

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1. Structure Basics

entry_id	9s2u
deposition_date	2025-07-22
last_revision	2025-10-08
title	1:1 complex of M.tuberculosis MmpL5 and M.smegmatis AcpM
keywords	Drug Efflux, RND transporter, Tuberculosis, MEMBRANE PROTEIN; MEMBRANE PROTEIN
method	ELECTRON MICROSCOPY

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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	32.82 Å
rg_electron	32.52 Å
i0	108182000.00
molecular_weight	87458.0 kDa
excluded_volume	111530 Å³
envelope_volume	135970 Å³
shell_volume	36574 Å³
envelope_diameter	125.0 Å
shell_rg	37.40 Å
envelope_rg	33.10 Å
shape_rg	32.57 Å
total_rg	32.74 Å
total_atoms	6157
n_residues	816
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	117.2 Å
rg_real	33.19 Å
rg_real_error	1.34 Å
i0_real	1.0820e+08
i0_real_error	1.8490e+06
rg_reciprocal	33.04 Å
i0_reciprocal	108200000.0000
total_estimate	0.8076
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.3 Å
skewness	0.574
kurtosis	-0.242
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	35210000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.628; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.685; Smooth: 0.927

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Siderophore exporter MmpL5,Green fluorescent protein
formula_weight	111448.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	D
atom_count	6157

MIVQRTAAPTGSVPPDRHAARPFIPRMIRTFAVPIILGWLVTIAVLNVTVPQLETVGQIQAVSMSPDAAPSMISMKHIGKVFEEGDSDSAAMIVLEGQRPLGDAAHAFYDQMIGRLQADTTHVQSLQDFWGDPLTATGAQSSDGKAAYVQVKLAGNQGESLANESVEAVKTIVERLAPPPGVKVYVTGSAALVADQQQAGDRSLQVIEAVTFTVIIVMLLLVYRSIITSAIMLTMVVLGLLATRGGVAFLGFHRIIGLSTFATNLLVVLAIAAATDYAIFLIGRYQEARGLGQDRESAYYTMFGGTAHVVLGSGLTIAGATFCLSFTRLPYFQTLGVPLAIGMVIVVAAALTLGPAIIAVTSRFGKLLEPKRMARVRGWRKVGAAIVRWPGPILVGAVALALVGLLTLPGYRTNYNDRNYLPADLPANEGYAAAERHFSQARMNPEVLMVESDHDMRNSADFLVINKIAKAIFAVEGISRVQAITRPDGKPIESFYLPPEVFDNPDFQRGLEQFLSPDGHAVRFIISHEGDPMSQAGIARIAKIKTAAKEAIKGTPLEGSAIYLGGTAAMFKDLSDGNTYDLMIAGISALCLIFIIMLITTRSVVAAAVIVGTVVLSLGASFGLSVLIWQHILGIELHWLVLAMAVIILLAVGADYNLLLVARLKEEIHAGINTGIIRAMGGSGSVVTAAGLVFAFTMMSFAVSELTVMAQVGTTIGMGLLFDTLIVRSFMTPSIAALLGKWFWWPQVVRQRPIPQPWPSPASARTFALVALEVLFQGPQFSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITHGMDELYKTSDYKDDDDK

Source

organism	Aequorea victoria
common_name	Water jellyfish, Mesonema victoria
ncbi_taxonomy_id	6100
host_organism	Mycolicibacterium smegmatis MC2 155

Entity 2 polymer

description	Meromycolate extension acyl carrier protein
formula_weight	8468.4 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

ATQEEIIAGLAEIIEEVTGIEPSEVTPEKSFVDDLDIDSLSMVEIAVQTEDKYGVKIPDEDLAGLRTVGDVVAYIQKL

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	3.200 Å
resolution_low	3.200 Å
r_factor	0.4444
r_work	0.4444
r_free	—

resolution	3.20 Å
resolution_method	—
num_particles	78900

fit	/app/data/saxs_computation/s2/9s2u/9s2u.fit
pddf	/app/data/pr_computation/s2/9s2u/9s2u.pr.out
profile	/app/data/saxs_computation/s2/9s2u/9s2u.dat

1:1 complex of M.tuberculosis MmpL5 and M.smegmatis AcpM

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

EM 3D

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)