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9uyc

TxtE mutant-H176FA248F With trp

Method: X-RAY DIFFRACTION D_max: 110.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uyc
deposition_date	2025-05-15
last_revision	2026-01-28
title	TxtE mutant-H176FA248F With trp
keywords	Nitrification, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC 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	34.49 Å
rg_electron	34.13 Å
i0	125960000.00
molecular_weight	91336.0 kDa
excluded_volume	114760 Å³
envelope_volume	145960 Å³
shell_volume	35456 Å³
envelope_diameter	111.4 Å
shell_rg	41.13 Å
envelope_rg	33.38 Å
shape_rg	34.11 Å
total_rg	34.69 Å
total_atoms	6454
n_residues	812
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	110.2 Å
rg_real	34.56 Å
rg_real_error	1.02 Å
i0_real	1.2600e+08
i0_real_error	2.2470e+06
rg_reciprocal	34.52 Å
i0_reciprocal	126000000.0000
total_estimate	0.8827
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.2 Å
skewness	0.284
kurtosis	-0.742
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	28290000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.896; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.941; Smooth: 0.843

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Putative P450-like protein
formula_weight	44918.1 kDa
mutation	H176FA248F
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	7810

MTVPSPLADPSIVPDPYPVYADLAQRRPVHWVERLNAWAVLTYADCAAGLKDPRLTADRGTEVLAAKFPGQPLPPDNIFHRWTKNVVMYTDPPLHDALRRSVRAGFTRAAHQHYDQVLQKVAHDLVASIPAGATEIDAVPALAAELPVRSAVHAFGVPEEDLGFLIPRVNTIMTYFSGPKDQPVTQEIILEKLTDLHTYASELLQGMRGKVLPDTVIARLAAAQDGLTETTPEQTVHQLALVFIALFFPTTPGSLSSGTLAFARNPRQVERFLADQACVDNTANEVLRYNASNQFTWRVAAKDVEMGGVRIEAGQTLALFLGSANRDANMFERPNDFDLDRPNSARHLSFGQGVHACLAAQLISLQLKWFYVALLNRFPGIRTAGEPIWNENLEFRSLRSLPLSLR

Source

organism	Streptomyces scabiei 87.22
ncbi_taxonomy_id	680198
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	TRYPTOPHAN
formula_weight	204.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1356

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6. Citations (1)

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length_a	75.570 Å
length_b	99.530 Å
length_c	105.680 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.530 Å
resolution_low	72.450 Å
r_factor	—
r_work	0.2969
r_free	0.3600

fit	/app/data/saxs_computation/uy/9uyc/9uyc.fit
pddf	/app/data/pr_computation/uy/9uyc/9uyc.pr.out
profile	/app/data/saxs_computation/uy/9uyc/9uyc.dat

TxtE mutant-H176FA248F With trp

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