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1a4e

CATALASE A FROM SACCHAROMYCES CEREVISIAE

Method: X-RAY DIFFRACTION D_max: 110.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a4e
deposition_date	1998-01-29
title	CATALASE A FROM SACCHAROMYCES CEREVISIAE
keywords	OXIDOREDUCTASE, CATALASE, PEROXIDASE; 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	36.26 Å
rg_electron	35.61 Å
i0	781073000.00
molecular_weight	225060.0 kDa
excluded_volume	279440 Å³
envelope_volume	329060 Å³
shell_volume	71439 Å³
envelope_diameter	114.6 Å
shell_rg	45.73 Å
envelope_rg	35.74 Å
shape_rg	35.58 Å
total_rg	36.28 Å
total_atoms	15922
n_residues	1952
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	110.7 Å
rg_real	36.03 Å
rg_real_error	0.65 Å
i0_real	7.8110e+08
i0_real_error	1.1150e+07
rg_reciprocal	36.18 Å
i0_reciprocal	781200000.0000
total_estimate	0.8986
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	45.3 Å
skewness	0.138
kurtosis	-0.518
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	308600000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.916

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CATALASE A
formula_weight	55623.9 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	16879

DVREDRVVTNSTGNPINEPFVTQRIGEHGPLLLQDYNLIDSLAHFNRENIPQRNPHAHGSGAFGYFEVTDDITDICGSAMFSKIGKRTKCLTRFSTVGGDKGSADTVRDPRGFATKFYTEEGNLDWVYNNTPVFFIRDPSKFPHFIHTQKRNPQTNLRDADMFWDFLTTPENQVAIHQVMILFSDRGTPANYRSMHGYSGHTYKWSNKNGDWHYVQVHIKTDQGIKNLTIEEATKIAGSNPDYCQQDLFEAIQNGNYPSWTVYIQTMTERDAKKLPFSVFDLTKVWPQGQFPLRRVGKIVLNENPLNFFAQVEQAAFAPSTTVPYQEASADPVLQARLFSYADAHRYRLGPNFHQIPVNCPYASKFFNPAIRDGPMNVNGNFGSEPTYLANDKSYTYIQQDRPIQQHQEVWNGPAIPYHWATSPGDVDFVQARNLYRVLGKQPGQQKNLAYNIGIHVEGACPQIQQRVYDMFARVDKGLSEAIKKVAE

Entity 2 non-polymer

description	AZIDE ION
formula_weight	42.0 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	957

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6. Citations (1)

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length_a	184.172 Å
length_b	184.172 Å
length_c	304.977 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	48

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	0.1540
r_work	0.1540
r_free	0.1980

fit	/app/data/saxs_computation/a4/1a4e/1a4e.fit
pddf	/app/data/pr_computation/a4/1a4e/1a4e.pr.out
profile	/app/data/saxs_computation/a4/1a4e/1a4e.dat

CATALASE A FROM SACCHAROMYCES CEREVISIAE

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