SAXSdb — 1e1c

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1. Structure Basics

entry_id	1e1c
deposition_date	2000-04-30
title	METHYLMALONYL-COA MUTASE H244A Mutant
keywords	ISOMERASE, MUTASE, INTRAMOLECULAR TRANSFERASE; ISOMERASE
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	54.96 Å
rg_electron	55.30 Å
i0	1254850000.00
molecular_weight	295110.0 kDa
excluded_volume	368490 Å³
envelope_volume	485720 Å³
shell_volume	73772 Å³
envelope_diameter	192.3 Å
shell_rg	56.62 Å
envelope_rg	54.30 Å
shape_rg	55.30 Å
total_rg	55.32 Å
total_atoms	20782
n_residues	2692
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	188.7 Å
rg_real	55.33 Å
rg_real_error	2.31 Å
i0_real	1.2550e+09
i0_real_error	2.9950e+07
rg_reciprocal	54.61 Å
i0_reciprocal	1253000000.0000
total_estimate	0.8012
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	45.6 Å
skewness	0.425
kurtosis	-0.658
angular_range	— – 0.1450 Å⁻¹
current_alpha	0.0000
highest_alpha	125300000.0000
n_real_points	30
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.680; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.849; Smooth: 0.523

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	METHYLMALONYL-COA MUTASE ALPHA CHAIN
formula_weight	80070.8 kDa
ec_number	5.4.99.2
mutation	YES
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	22307

STLPRFDSVDLGNAPVPADAARRFEELAAKAGTGEAWETAEQIPVGTLFNEDVYKDMDWLDTYAGIPPFVHGPYATMYAFRPWTIRQYAGFSTAKESNAFYRRNLAAGQKGLSVAFDLPTHRGYDSDNPRVAGDVGMAGVAIDSIYDMRELFAGIPLDQMSVSMTMNGAVLPILALYVVTAEEQGVKPEQLAGTIQNDILKEFMVRNTYIYPPQPSMRIISEIFAYTSANMPKWNSISISGYAMQEAGATADIEMAYTLADGVDYIRAGESVGLNVDQFAPRLSFFWGIGMNFFMEVAKLRAARMLWAKLVHQFGPKNPKSMSLRTHSQTSGWSLTAQDVYNNVVRTCIEAMAATQGHTQSLHTNSLDEAIALPTDFSARIARNTQLFLQQESGTTRVIDPWSGSAYVEELTWDLARKAWGHIQEVEKVGGMAKAIEKGIPKMRIEEAAARTQARIDSGRQPLIGVNKYRLEHEPPLDVLKVDNSTVLAEQKAKLVKLRAERDPEKVKAALDKITWAAGNPDDKDPDRNLLKLCIDAGRAMATVGEMSDALEKVFGRYTAQIRTISGVYSKEVKNTPEVEEARELVEEFEQAEGRRPRILLAKMGQDGHDRGQKVIATAYADLGFDVDVGPLFQTPEETARQAVEADVHVVGVSSLAGGHLTLVPALRKELDKLGRPDILITVGGVIPEQDFDELRKDGAVEIYTPGTVIPESAISLVKKLRASLDA

Source

organism	PROPIONIBACTERIUM FREUDENREICHII SUBSP. SHERMANII
ncbi_taxonomy_id	1752
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	METHYLMALONYL-COA MUTASE BETA CHAIN
formula_weight	69430.2 kDa
ec_number	5.4.99.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

SSTDQGTNPADTDDLTPTTLSLAGDFPKATEEQWEREVEKVLNRGRPPEKQLTFAECLKRLTVHTVDGIDIVPMYRPKDAPKKLGYPGVAPFTRGTTVRNGDMDAWDVRALHEDPDEKFTRKAILEGLERGVTSLLLRVDPDAIAPEHLDEVLSDVLLEMTKVEVFSRYDQGAAAEALVSVYERSDKPAKDLALNLGLDPIGFAALQGTEPDLTVLGDWVRRLAKFSPDSRAVTIDANIYHNAGAGDVAELAWALATGAEYVRALVEQGFTATEAFDTINFRVTATHDQFLTIARLRALREAWARIGEVFGVDEDKRGARQNAITSWRELTREDPYVNILRGSIATFSASVGGAESITTLPFTQALGLPEDDFPLRIARNTGIVLAEEVNIGRVNDPAGGSYYVESLTRSLADAAWKEFQEVEKLGGMSKAVMTEHVTKVLDACNAERAKRLANRKQPITAVSEFPMIGARSIETKPFPAAPARKGLAWHRDSEVFEQLMDRSTSVSERPKVFLACLGTRRDFGGREGFSSPVWHIAGIDTPQVEGGTTAEIVEAFKKSGAQVADLCSSAKVYAQQGLEVAKALKAAGAKALYLSGAFKEFGDDAAEAEKLIDGRLFMGMDVVDTLSSTLDILGVAK

Source

organism	PROPIONIBACTERIUM FREUDENREICHII SUBSP. SHERMANII
ncbi_taxonomy_id	1752
host_organism	ESCHERICHIA COLI

Entity 3 non-polymer

description	COBALAMIN
formula_weight	1330.4 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	DESULFO-COENZYME A
formula_weight	735.5 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1525

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6. Citations (1)

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length_a	125.398 Å
length_b	161.829 Å
length_c	166.949 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.620 Å
resolution_low	29.200 Å
r_factor	0.2190
r_work	0.2070
r_free	0.2830

fit	/app/data/saxs_computation/e1/1e1c/1e1c.fit
pddf	/app/data/pr_computation/e1/1e1c/1e1c.pr.out
profile	/app/data/saxs_computation/e1/1e1c/1e1c.dat

METHYLMALONYL-COA MUTASE H244A Mutant

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)