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1dgg

HUMAN ERYTHROCYTE CATALSE CYANIDE COMPLEX

Method: X-RAY DIFFRACTION D_max: 111.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dgg
deposition_date	1999-11-24
title	HUMAN ERYTHROCYTE CATALSE CYANIDE COMPLEX
keywords	CATALASE, HEME, NADPH, HYDROGEN PEROXIDE, CYANIDE, 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	36.44 Å
rg_electron	35.73 Å
i0	812886000.00
molecular_weight	230260.0 kDa
excluded_volume	286140 Å³
envelope_volume	331870 Å³
shell_volume	71816 Å³
envelope_diameter	116.3 Å
shell_rg	45.88 Å
envelope_rg	35.76 Å
shape_rg	35.72 Å
total_rg	36.32 Å
total_atoms	16284
n_residues	1988
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	111.3 Å
rg_real	36.20 Å
rg_real_error	0.68 Å
i0_real	8.1290e+08
i0_real_error	1.2490e+07
rg_reciprocal	36.36 Å
i0_reciprocal	813000000.0000
total_estimate	0.8977
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	46.6 Å
skewness	0.134
kurtosis	-0.515
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	286400000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.910

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CATALASE
formula_weight	56626.4 kDa
ec_number	1.11.1.6
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	17841

RDPASDQMQHWKEQRAAQKADVLTTGAGNPVGDKLNVITVGPRGPLLVQDVVFTDEMAHFDRERIPERVVHAKGAGAFGYFEVTHDITKYSKAKVFEHIGKKTPIAVRFSTVAGESGSADTVRDPRGFAVKFYTEDGNWDLVGNNTPIFFIRDPILFPSFIHSQKRNPQTHLKDPDMVWDFWSLRPESLHQVSFLFSDRGIPDGHRHMNGYGSHTFKLVNANGEAVYCKFHYKTDQGIKNLSVEDAARLSQEDPDYGIRDLFNAIATGKYPSWTFYIQVMTFNQAETFPFNPFDLTKVWPHKDYPLIPVGKLVLNRNPVNYFAEVEQIAFDPSNMPPGIEASPDKMLQGRLFAYPDTHRHRLGPNYLHIPVNCPYRARVANYQRDGPMCMQDNQGGAPNYYPNSFGAPEQQPSALEHSIQYSGEVRRFNTANDDNVTQVRAFYVNVLNEEQRKRLCENIAGHLKDAQIFIQKKAVKNFTEVHPDYGSHIQALLDKYN

Entity 2 non-polymer

description	CYANIDE ION
formula_weight	26.0 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	745.4 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1493

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6. Citations (1)

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length_a	83.862 Å
length_b	140.608 Å
length_c	231.591 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	1.800 Å
resolution_low	20.000 Å
r_factor	0.1820
r_work	0.1780
r_free	0.2210

fit	/app/data/saxs_computation/dg/1dgg/1dgg.fit
pddf	/app/data/pr_computation/dg/1dgg/1dgg.pr.out
profile	/app/data/saxs_computation/dg/1dgg/1dgg.dat

HUMAN ERYTHROCYTE CATALSE CYANIDE COMPLEX

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