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1cjx

CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS HPPD

Method: X-RAY DIFFRACTION D_max: 129.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cjx
deposition_date	1999-04-20
title	CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS HPPD
keywords	Oxidoreductase, Dioxygenase, Iron; 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	40.04 Å
rg_electron	39.54 Å
i0	378309000.00
molecular_weight	159430.0 kDa
excluded_volume	199160 Å³
envelope_volume	256630 Å³
shell_volume	54174 Å³
envelope_diameter	134.8 Å
shell_rg	44.90 Å
envelope_rg	39.38 Å
shape_rg	39.57 Å
total_rg	39.73 Å
total_atoms	11182
n_residues	1412
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	129.8 Å
rg_real	40.07 Å
rg_real_error	1.45 Å
i0_real	3.7830e+08
i0_real_error	7.0100e+06
rg_reciprocal	40.04 Å
i0_reciprocal	378300000.0000
total_estimate	0.8890
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	39.9 Å
skewness	0.328
kurtosis	-0.472
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	103000000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.819

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	4-HYDROXYPHENYLPYRUVATE DIOXYGENASE
formula_weight	40094.4 kDa
ec_number	1.13.11.27
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11821

ADLYENPMGLMGFEFIEFASPTPGTLEPIFEIMGFTKVATHRSKNVHLYRQGEINLILNNEPNSIASYFAAEHGPSVCGMAFRVKDSQKAYNRALELGAQPIHIDTGPMELNLPAIKGIGGAPLYLIDRFGEGSSIYDIDFVYLEGVERNPVGAGLKVIDHLTHNVYRGRMVYWANFYEKLFNFREARYFDIKGEYTGLTSKAMSAPDGMIRIPLNEESSKGAGQIEEFLMQFNGEGIQHVAFLTDDLVKTWDALKKIGMRFMTAPPDTYYEMLEGRLPDHGEPVDQLQARGILLDGSSVEGDKRLLLQIFSETLMGPVFFEFIQRKGDDGFGEGNFKALFESIERDQVRRGVLATD

Source

organism	Pseudomonas fluorescens
ncbi_taxonomy_id	294
host_organism	Pseudomonas fluorescens

Entity 2 non-polymer

description	FE (II) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	ETHYL MERCURY ION
formula_weight	229.7 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	567

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6. Citations (1)

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length_a	79.590 Å
length_b	142.750 Å
length_c	159.440 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2190
r_free	0.2760

fit	/app/data/saxs_computation/cj/1cjx/1cjx.fit
pddf	/app/data/pr_computation/cj/1cjx/1cjx.pr.out
profile	/app/data/saxs_computation/cj/1cjx/1cjx.dat