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1e5h

DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE

Method: X-RAY DIFFRACTION D_max: 61.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e5h
deposition_date	2000-07-26
title	DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE
keywords	FERROUS OXYGENASE, CEPHALOSPORIN, 2-OXOGLUTARATE, C-TERMINUS ANTIBIOTICS, OXIDOREDUCTASE, OXIDATIVE COUPLING CONTROL; OXIDOREDUCTASE
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	19.76 Å
rg_electron	18.42 Å
i0	16876500.00
molecular_weight	30351.0 kDa
excluded_volume	37668 Å³
envelope_volume	43779 Å³
shell_volume	19738 Å³
envelope_diameter	62.9 Å
shell_rg	24.97 Å
envelope_rg	18.69 Å
shape_rg	18.42 Å
total_rg	19.34 Å
total_atoms	2136
n_residues	271
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	61.8 Å
rg_real	19.65 Å
rg_real_error	0.29 Å
i0_real	1.6880e+07
i0_real_error	1.8680e+05
rg_reciprocal	19.67 Å
i0_reciprocal	16880000.0000
total_estimate	0.7150
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	24.4 Å
skewness	0.220
kurtosis	-0.369
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	5000000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.899; Stabil: 1.000; Sysdev: 0.210; Positv: 1.000; Valcen: 0.997; Smooth: 0.968

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	DEACETOXYCEPHALOSPORIN C SYNTHASE
formula_weight	34274.3 kDa
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2257

MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDIVIDFFEHGSEAEKRAVTSPVPTMRRGFTGLESESTAQITNTGSYSDYSMCYSMGTADNLFPSGDFERIWTQYFDRQYTASRAVAREVLRATGTEPDGGVEAFLDCEPLLRFRYFPQVPEHRSAEEQPLRMAPHYDLSMVTLIQQTPCANGFVSLQAEVGGAFTDLPYRPDAVLVFCGAIATLVTGGQVKAPRHHVAAPRRDQIAGSSRTSSVFFLRPNADFTFSVPLARECGFDVSLDGETATFQDWIGGNYVNIRRA

Source

organism	STREPTOMYCES CLAVULIGERUS
ncbi_taxonomy_id	1901
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	FE (II) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SUCCINIC ACID
formula_weight	118.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CARBON DIOXIDE
formula_weight	44.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	119

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6. Citations (2)

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length_a	106.260 Å
length_b	106.260 Å
length_c	71.060 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

space_group	H 3
int_tables_number	146
crystal_system	—

resolution	1.960 Å
resolution_low	16.570 Å
r_factor	0.2200
r_work	0.2200
r_free	0.2520

fit	/app/data/saxs_computation/e5/1e5h/1e5h.fit
pddf	/app/data/pr_computation/e5/1e5h/1e5h.pr.out
profile	/app/data/saxs_computation/e5/1e5h/1e5h.dat