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1d6u

CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE

Method: X-RAY DIFFRACTION D_max: 106.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d6u
deposition_date	1999-10-15
title	CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE
keywords	REACTION INTERMEDIATE, OXIDOREDUCTASE; 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	33.90 Å
rg_electron	33.21 Å
i0	395451000.00
molecular_weight	161650.0 kDa
excluded_volume	202420 Å³
envelope_volume	244630 Å³
shell_volume	58238 Å³
envelope_diameter	114.8 Å
shell_rg	42.20 Å
envelope_rg	33.47 Å
shape_rg	33.18 Å
total_rg	33.92 Å
total_atoms	11392
n_residues	1436
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	106.8 Å
rg_real	33.74 Å
rg_real_error	0.57 Å
i0_real	3.9550e+08
i0_real_error	5.4970e+06
rg_reciprocal	33.84 Å
i0_reciprocal	395500000.0000
total_estimate	0.8949
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	43.1 Å
skewness	0.179
kurtosis	-0.433
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	112300000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.898; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.946

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	COPPER AMINE OXIDASE
formula_weight	81367.8 kDa
ec_number	1.4.3.6
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	12855

HGGEAHMVPMDKTLKEFGADVQWDDYAQLFTLIKDGAYVKVKPGAQTAIVNGQPLALQVPVVMKDNKAWVSDTFINDVFQSGLDQTFQVEKRPHPLNALTADEIKQAVEIVKASADFKPNTRFTEISLLPPDKEAVWAFALENKPVDQPRKADVIMLDGKHIIEAVVDLQNNKLLSWQPIKDAHGMVLLDDFASVQNIINNSEEFAAAVKKRGITDAKKVITTPLTVGYFDGKDGLKQDARLLKVISYLDVGDGNYWAHPIENLVAVVDLEQKKIVKIEEGPVVPVPMTARPFDGRDRVAPAVKPMQIIEPEGKNYTITGDMIHWRNWDFHLSMNSRVGPMISTVTYNDNGTKRKVMYEGSLGGMIVPYGDPDIGWYFKAYLDSGDYGMGTLTSPIARGKDAPSNAVLLNETIADYTGVPMEIPRAIAVFERYAGPEYKHQEMGQPNVSTERRELVVRWISTVGNYDYIFDWIFHENGTIGIDAGATGIEAVKGVKAKTMHDETAKDDTRYGTLIDHNIVGTTHQHIYNFRLDLDVDGENNSLVAMDPVVKPNTAGGPRTSTMQVNQYNIGNEQDAAQKFDPGTIRLLSNPNKENRMGNPVSYQIIPYAGGTHPVAKGAQFAPDEWIYHRLSFMDKQLWVTRYHPGERFPEGKYPNRSTHDTGLGQYSKDNESLDNTDAVVWMTTGTTHVARAEEWPIMPTEWVHTLLKPWNFFDETPTLGALKKDK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	PHENYLACETALDEHYDE
formula_weight	120.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	2-PHENYLETHYLAMINE
formula_weight	122.2 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1463

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6. Citations (4)

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length_a	135.236 Å
length_b	166.482 Å
length_c	79.628 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	2.400 Å
resolution_low	30.000 Å
r_factor	0.1830
r_work	0.1810
r_free	0.2390

fit	/app/data/saxs_computation/d6/1d6u/1d6u.fit
pddf	/app/data/pr_computation/d6/1d6u/1d6u.pr.out
profile	/app/data/saxs_computation/d6/1d6u/1d6u.dat