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1bgp

CRYSTAL STRUCTURE OF BARLEY GRAIN PEROXIDASE 1

Method: X-RAY DIFFRACTION D_max: 68.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bgp
deposition_date	1997-07-24
title	CRYSTAL STRUCTURE OF BARLEY GRAIN PEROXIDASE 1
keywords	PEROXIDASE, CHROMOPROTEIN, 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	20.15 Å
rg_electron	19.00 Å
i0	21576600.00
molecular_weight	34388.0 kDa
excluded_volume	42620 Å³
envelope_volume	47747 Å³
shell_volume	20778 Å³
envelope_diameter	68.1 Å
shell_rg	25.80 Å
envelope_rg	19.44 Å
shape_rg	18.99 Å
total_rg	19.93 Å
total_atoms	2415
n_residues	309
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	68.2 Å
rg_real	20.09 Å
rg_real_error	0.57 Å
i0_real	2.1580e+07
i0_real_error	3.0120e+05
rg_reciprocal	20.10 Å
i0_reciprocal	21580000.0000
total_estimate	0.8552
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.3 Å
skewness	0.292
kurtosis	-0.257
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	6101000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.746; Stabil: 0.980; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.936

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	BARLEY GRAIN PEROXIDASE
formula_weight	33865.2 kDa
ec_number	1.11.1.7
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2568

AEPPVAPGLSFDFYWQTCPRAESIVREFVQEAVRKDIGLAAGLLRLHFHDCFVQGCDASVLLDGSATGPGEQQAPPNLTLRPSAFKAVNDIRDRLERECRGAVVSCSDILALAARDSVVVSGGPDYRVPLGRRDSRSFASTQDVLSDLPGPSSNVQSLLALLGRLGLDATDLVTISGGHTIGLAHCSSFEDRLFPRPDPTISPTFLSRLKRTCPAKGTDRRTVLDVRTPNVFDNKYYIDLVNREGLFVSDQDLFTNAITRPIVERFAQSQQDFFEQFGVSIGKMGQMRVRTSDQGEVRRNCSVRNPGPG

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	146

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6. Citations (1)

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length_a	71.920 Å
length_b	105.060 Å
length_c	40.950 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.900 Å
resolution_low	38.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2300

fit	/app/data/saxs_computation/bg/1bgp/1bgp.fit
pddf	/app/data/pr_computation/bg/1bgp/1bgp.pr.out
profile	/app/data/saxs_computation/bg/1bgp/1bgp.dat

CRYSTAL STRUCTURE OF BARLEY GRAIN PEROXIDASE 1

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