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1cqx

Crystal structure of the flavohemoglobin from Alcaligenes eutrophus at 1.75 A resolution

Method: X-RAY DIFFRACTION D_max: 117.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cqx
deposition_date	1999-08-12
title	Crystal structure of the flavohemoglobin from Alcaligenes eutrophus at 1.75 A resolution
keywords	GLOBIN FOLD, SIX-STRANDED ANTIPARALLEL BETA SHEET, HELIX-FLANKED FIVE-STRANDED PARALLEL BETA SHEET, LIPID BINDING PROTEIN; LIPID BINDING PROTEIN
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	33.93 Å
rg_electron	33.34 Å
i0	133717000.00
molecular_weight	93713.0 kDa
excluded_volume	117600 Å³
envelope_volume	146430 Å³
shell_volume	38274 Å³
envelope_diameter	123.0 Å
shell_rg	38.58 Å
envelope_rg	33.17 Å
shape_rg	33.37 Å
total_rg	33.64 Å
total_atoms	6599
n_residues	806
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	117.6 Å
rg_real	34.13 Å
rg_real_error	1.02 Å
i0_real	1.3370e+08
i0_real_error	2.2380e+06
rg_reciprocal	34.01 Å
i0_reciprocal	133700000.0000
total_estimate	0.8293
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.5 Å
skewness	0.501
kurtosis	-0.392
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	29700000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.692; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.773; Smooth: 0.929

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	FLAVOHEMOPROTEIN
formula_weight	44845.9 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7180

MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRTYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE

Entity 2 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL
formula_weight	735.0 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	581

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6. Citations (2)

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length_a	52.200 Å
length_b	85.800 Å
length_c	103.900 Å
angle_alpha	90.00 °
angle_beta	81.80 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.750 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1820
r_free	0.2150

fit	/app/data/saxs_computation/cq/1cqx/1cqx.fit
pddf	/app/data/pr_computation/cq/1cqx/1cqx.pr.out
profile	/app/data/saxs_computation/cq/1cqx/1cqx.dat