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1brt

BROMOPEROXIDASE A2 MUTANT M99T

Method: X-RAY DIFFRACTION D_max: 56.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brt
deposition_date	1998-03-30
title	BROMOPEROXIDASE A2 MUTANT M99T
keywords	HALOPEROXIDASE, OXIDOREDUCTASE, PEROXIDASE, ALPHA/BETA HYDROLASE FOLD, MUTANT M99T; HALOPEROXIDASE
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	18.76 Å
rg_electron	17.38 Å
i0	15806100.00
molecular_weight	30241.0 kDa
excluded_volume	37789 Å³
envelope_volume	41946 Å³
shell_volume	19648 Å³
envelope_diameter	55.8 Å
shell_rg	24.15 Å
envelope_rg	17.56 Å
shape_rg	17.36 Å
total_rg	18.40 Å
total_atoms	2147
n_residues	277
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	56.3 Å
rg_real	18.59 Å
rg_real_error	0.25 Å
i0_real	1.5810e+07
i0_real_error	1.7320e+05
rg_reciprocal	18.61 Å
i0_reciprocal	15810000.0000
total_estimate	0.9015
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.7 Å
skewness	0.010
kurtosis	-0.513
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	3249000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.917; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BROMOPEROXIDASE A2
formula_weight	30248.3 kDa
ec_number	1.11.1.10
mutation	M99T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2393

PFITVGQENSTSIDLYYEDHGTGQPVVLIHGFPLSGHSWERQSAALLDAGYRVITYDRRGFGQSSQPTTGYDYDTFAADLNTVLETLDLQDAVLVGFSTGTGEVARYVSSYGTARIAKVAFLASLEPFLLKTDDNPDGAAPQEFFDGIVAAVKADRYAFYTGFFNDFYNLDENLGTRISEEAVRNSWNTAASGGFFAAAAAPTTWYTDFRADIPRIDVPALILHGTGDRTLPIENTARVFHKALPSAEYVEVEGAPHGLLWTHAEEVNTALLAFLAK

Source

organism	Streptomyces aureofaciens
ncbi_taxonomy_id	1894
host_organism	Streptomyces lividans

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	246

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6. Citations (1)

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length_a	121.720 Å
length_b	121.720 Å
length_c	121.720 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 2 3
int_tables_number	197
crystal_system	—

resolution	1.500 Å
resolution_low	90.000 Å
r_factor	0.1400
r_work	0.1470
r_free	0.1640

fit	/app/data/saxs_computation/br/1brt/1brt.fit
pddf	/app/data/pr_computation/br/1brt/1brt.pr.out
profile	/app/data/saxs_computation/br/1brt/1brt.dat

BROMOPEROXIDASE A2 MUTANT M99T

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