SAXSdb — 9x2a

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1. Structure Basics

entry_id	9x2a
deposition_date	2025-10-04
title	Cryo-EM structure of PsoA in cofactor bound state (PsoA-PKS-II)
keywords	PKS-NRPS hybrid synthetase; part of the gene cluster that mediates the biosynthesis of pseurotin A, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC 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	69.01 Å
rg_electron	69.28 Å
i0	3942330000.00
molecular_weight	521250.0 kDa
excluded_volume	649030 Å³
envelope_volume	1027700 Å³
shell_volume	127920 Å³
envelope_diameter	224.6 Å
shell_rg	64.76 Å
envelope_rg	67.04 Å
shape_rg	69.26 Å
total_rg	69.28 Å
total_atoms	72870
n_residues	4764
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	207.0 Å
rg_real	68.97 Å
rg_real_error	1.47 Å
i0_real	3.9420e+09
i0_real_error	8.3140e+07
rg_reciprocal	69.00 Å
i0_reciprocal	3942000000.0000
total_estimate	0.8394
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	99.0 Å
skewness	0.237
kurtosis	-0.393
angular_range	— – 0.1150 Å⁻¹
current_alpha	0.0001
highest_alpha	175800000.0000
n_real_points	24
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.956; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.046

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PKS-NRPS hybrid synthetase psoA
formula_weight	436200.6 kDa
ec_number	2.3.1.-,6.3.2.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	72870

MVYTHSPKEPIAIIGTGCRFPGGSTSPSKLWDLLYSPRDLTREVPAESRFNPKGFYNVDGEHHGASNATNAYFIEEDPRYFDAGFFSIAPREAESIDPQQRLLLETVYEAMENAGLTLNGMRGSATSAYMGAMSADYTDTQLRDIENVSKYMITGTSRALLANRLSYFFDWKGPSISVDTACSSSLAAVHLGVQALRAGECTISCVGGSNIILNPDCYLAATSLHLLSPTGRSQMWDQAADGYARGEGVCVFFMKTLSQALRDGDRIDALLRETCVNSDGRTQGIALPSAEAQVSLMRTAYKNAGLDLSKAEDRPQYIEAHGTGTQAGDPREAYAIATTFFPPGEDHSHRPKLVVGSVKTIIGHTEGCAGIAGILKAVLAMRHKTIPPNQHFHNLNPSVKPSFKHLSIATSPQPWPVVPPDTPLRASVNGFGSGGTNCHAIVESYVPEIHDNGPWGKPKEMTQVPNGVAAPETDFSPIPLIFSASSGTALRAMLERYQEYLERTEVSLLRLAMTLNSHRSTLPVRVSIPGTSKADVLAAIRTQLAKVGSNPGAEIGTRSSVPEFDHVRRPKILGVFTGQGAQWAGMGQGLMAKSALFRQVIEVMEEAMAQLPDGPEWSLKEEIMKPPKTSRLGEAEISLPVCAALQVGLVKVLRSAGITFSMVVGHSGGEIGSAYAAGKISEVDAIKIAYYRGVYTKLAIGKDGKKGGMIAVGFGYEDGLNFCAMEQFADRLTVAASNSPKSVTLSGDLDAVHEAKELLDAEGVFNRVLRLDTAYHSPHMYPCAAPYLAAIERCGLVAGKSNGTAWASSVYDDNRMMTSAQDKDLEAAYWKDNLIGRVLFSQAVERALDEGNGDFDLALEIGPHPSLKGPTLETIRHKIGSEIPYSGVLDRKADDILALSTALGFSWLTLGSGVVDFAGYVSGFDPSNASILNAPALPDLPTYPWDHKKVLYRESRLNKNVRHRVDPPHPLLGSRTPDDTDYEPRWRNFLIMEELPWLRDHCVQGQIIVPAATYSVMALEAAKVLCRGKHVQSIELSDVAILRPIVLDEASDGTETLFSVRSDLDSNKKHEDEIHAQFTLSAGAMDDRHLRTAATGHIRITLAAEAPSSFPNGPRPTELDLLPTSVDRFYASMDEIGLSYSGPFRAMTSMKRRLNVASATVAVDRDLAGTIPVHPTWLDACFQTFLAAFAAPRDGSLWTAFMPTAIGRMVFSPSSTSQVPGRSVTVDAHITDFAPGYQVSLPTLTGDMSIFNSETNQLQIQIEDFVMSSFLPASEKDDRRFYLQNVWGQEMLSGALCAAAERCVAPTESESKIIDTCEKAVHYYLSKLKAAGLLDQWADKNPGLRSLMNEIEARVTSIPEQSDLVSMLGEVGEHIDLVLVRTIGESLLNSPSEGLGPITPSPMGALISRWHHEGLGFAQLQRHFVSAAKQISHQHANLRILQVGPSSPGLVRSVCQELGRSLERYTLVDDSEQTIEEMKSALAADQLRVDFTTASVENGIDAVNHLTSAGGFDLVIVHKAFTKQVTALKTVRNLLRPGGFMLMMAATGAQLRFPFMLMSTLPSLDDERLAQTKFINATRAETHDLLRQIGFSGVDSIALDNVPDKHTFSVVVSQALDDHIAFLRSPLTSPSPVPLSGNLLVVGGFSADIAKLATAIQSLVSTVWHGDIINVRTLAELDDEASTVEAVLSLTDLDRPVLEDVRAPTFRGLQRLFSEAKTVLWITHRAKADNPYHNATIGLGRSFQSENPQKVLQFLDVDTLDGVESAIAETFLKLIGGVNMRNSNPADPTRLWTIEPEVSLENGKYLVPRLFPDTERNDRLNALRRKVQTQVSVETQPISLSRSAQSDQVAYTAEAVHFHRDLADGATDPVTIQVELCSTEPVIPNIDNEDLFCFVGRTSEGARLVGLSTSNSSVVKVPREWTIPVDKHTSHDQGAFVLELRNEIQSLVIAKSIPPGSTTLIYEPDPHLAASLQRPGRPATSSVSFRARSTWSIPGSHILIDPHASRKDIQAKVPPKTRMLIHMEQGPETCEFLALRQALPPYATVVAFNDLAADDVNPRELLAEALSIIRGDSQSTKVPFDPSSVVKASALVAGGTREHANAAVVDWTGAQSITLSPRPVDTRNLFSPNKTYLLVGLTGHIGQSICRWMVQGGARHIVVTSRHPEKQGQLWREELLRQGVNIVIEAADVTKEHDLLDLRARIVSSMPPVGGIANGAMVLDDKLFIDMPFESFQAAMKPKVQGSIYLEEVFSADNLDFFLFFSSISVMTGQRTQANYVAANNFMVAMAERRRARGLPASVIDIGMVVGIGVIQRSQNDKGVSAMENSIRQMDYMPVSETDLHHLLAEAILVGQRDESPELITGLETYKPVEGEAPFWHHNVRFSHLITDPDAAQAGADSAGSAQKSLKEMLLSSGGPEEARKVMENALLQYLASSLKLSRETIYTDVPIIDLGIDSLVAVQIRNWTWAEAGYDLPVLKILGGSSVTQICDEVVASLSFDKSSIAAAKVDSQAAPAHKLRPWDKPSADTKRTDSIAPVPRSQIAANGPNGLPNGALKKASKLAVKVRPLWTTQAGGKDTKKGPRPAPIRIQPLSLGQSRLYFLSQYMDDDRVLNCTISYALSGKLDVSKLEQSLIQVVQRHEALRTSFYTDEKDGKPMQGLLEKSPFRLRVVPGVSASSDVETEFNLIRYRPYDLEQADTFAATLLSHSPDSHTLICGYHHIIMDGVSWQIFQKDLAMFYNNSGIADSAKHLPAQYSEFTRKQQEDLSCGAYAERLRFFQDQFREPVESLPLFPFAKVGTRKVVKQYAVQEATTHLNAKVVSAIKQASQTSRTTPFHFYLSAFQVLLHRLLETDKMCIGVVDANRSDQNFVNTIGFFLETIPLWFKVNSEQRFVELLKETRTKAYAALAQTGVPTEEILRACGVASSTTETPLFQVCFNYRMGAGRTAALQGVEMKFLDYVDAQNPFDLVATVDDLDDGTAMITLYLQDYLYDQEGAQLLATMYANVLQVLAENPERLVGSVSISNATLEDEGVKLGTGPILDLVAPSTPTLSKIFHTWVDKDPHALAVKDTTGKSKTYVQLAERANAIAASLLNAGAAPSIPIGVLLDPGVDTIATILAILRIGAAYVPLDTRSSDAVLSDILQESQPGIVIHHSATAPRSQILLKASAKTKLVTLNAVPQKTIRKIQDVSVPEGLAMILYTSGSTGSPKGIPLTNANIRTPILGVSERVPLGREVVLQQSGQGFDAAVYQIFIALANGGTLIMVDNRDDPAKVAALMAQESVTCTTHIVSEMQALLKYGYDELRNCSSWRIAMVAGEAFTVHLLDQFRALNRPDLKVINAYGPTEASICSSLGEVSFNRISSSETSIPIGKAIPNYGTYIVDQHCKPVPLGWPGEVAIAGPGVASGYLNLGELTQAKFRSAATLGEVFGSDCLYLTGDRGRMLSDGSIVLSGRVDGDDQVKIRGHRVQLGDVARALVQASRGVFADAAVILKGDDTSNPQLVAYVVFSRTSNIQDQQTYLRQLNQDLPVPAYMRPAITIPLDTLPVTDRGKLDSKKLASLPLPSISVDYEEDEQLTPTEARLRDVWKNVLGDIASSIPIRRSSDFFSVGGNSLILLALKAEIAQVFGVGLSVSELFQASTLELLAARLDGTSLLAQINWEEETAPDETQFTLPPPINGINGHGSSNGHAQGISVLLTGATGFLGGHILRQLVQLPSVEHVHCVAIRPNKVDVRRQLSVESPKIIRYSGDLALPNMGMSESEFSDLFKSIDVIVHNGAEVSHMKNYRSLRAANFLSTVGLARAAVSRGIPIHYISTGGVARLSVADEQPEASLAAFHPPIDGSDGYVASKWASEVFLEKVQRRFQGQVWIHRPSSITGDDVPDNDIAHSLLKFSRELGAVPELTGSGFFDFINVETVSNNIAASVVRSSEKSGGGLIYLHQSGEQVIPVGDLQKYVEELEGRPLQVLPLKEWVDLSIRKGLDEVLGSYMLASKGVIRAPLLQRGPHVE

Source

organism	Aspergillus fumigatus Af293
ncbi_taxonomy_id	330879
host_organism	Saccharomyces cerevisiae

Entity 2 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	745.4 kDa
src_method	syn
entity_count	2

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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	3.360 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	3.36 Å
resolution_method	—
num_particles	107200

fit	/app/data/saxs_computation/x2/9x2a/9x2a.fit
pddf	/app/data/pr_computation/x2/9x2a/9x2a.pr.out
profile	/app/data/saxs_computation/x2/9x2a/9x2a.dat

Cryo-EM structure of PsoA in cofactor bound state (PsoA-PKS-II)

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