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1ey2

HUMAN HOMOGENTISATE DIOXYGENASE WITH FE(II)

Method: X-RAY DIFFRACTION D_max: 90.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ey2
deposition_date	2000-05-05
title	HUMAN HOMOGENTISATE DIOXYGENASE WITH FE(II)
keywords	jelly roll, beta sandwich, 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	24.00 Å
rg_electron	23.07 Å
i0	38423600.00
molecular_weight	47414.0 kDa
excluded_volume	58961 Å³
envelope_volume	73194 Å³
shell_volume	26514 Å³
envelope_diameter	96.2 Å
shell_rg	30.10 Å
envelope_rg	24.16 Å
shape_rg	23.09 Å
total_rg	23.82 Å
total_atoms	3312
n_residues	410
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	90.3 Å
rg_real	24.09 Å
rg_real_error	0.72 Å
i0_real	3.8420e+07
i0_real_error	4.9040e+05
rg_reciprocal	24.07 Å
i0_reciprocal	38420000.0000
total_estimate	0.8032
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	88.9 Å
skewness	0.576
kurtosis	0.343
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	7402000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.529; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.866; Smooth: 0.984

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HOMOGENTISATE 1,2-DIOXYGENASE
formula_weight	53648.6 kDa
ec_number	1.13.11.5
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3544

MGHHHHHHHHHHSSGHIDDDDKHMGSMAELKYISGFGNECSSEDPRCPGSLPEGQNNPQVCPYNLYAEQLSGSAFTCPRSTNKRSWLYRILPSVSHKPFESIDEGHVTHNWDEVDPDPNQLRWKPFEIPKASQKKVDFVSGLHTLCGAGDIKSNNGLAIHIFLCNTSMENRCFYNSDGDFLIVPQKGNLLIYTEFGKMLVQPNEICVIQRGMRFSIDVFEETRGYILEVYGVHFELPDLGPIGANGLANPRDFLIPIAWYEDRQVPGGYTVINKYQGKLFAAKQDVSPFNVVAWHGNYTPYKYNLKNFMVINSVAFDHADPSIFTVLTAKSVRPGVAIADFVIFPPRWGVADKTFRPPYYHRNCMSEFMGLIRGHYEAKQGGFLPGGGSLHSTMTPHGPDADCFEKASKVKLAPERIADGTMAFMFESSLSLAVTKWGLKASRCLDENYHKCWEPLKSHFTPNSRNPAEPN

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	232

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6. Citations (1)

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length_a	157.809 Å
length_b	157.809 Å
length_c	95.147 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 63 2 2
int_tables_number	182
crystal_system	—

resolution	2.300 Å
resolution_low	30.000 Å
r_factor	0.1930
r_work	0.1930
r_free	0.2420

fit	/app/data/saxs_computation/ey/1ey2/1ey2.fit
pddf	/app/data/pr_computation/ey/1ey2/1ey2.pr.out
profile	/app/data/saxs_computation/ey/1ey2/1ey2.dat

HUMAN HOMOGENTISATE DIOXYGENASE WITH FE(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

Diffraction