Crystal structure of the CtaG_H128A variant from Ruminiclostridium cellulolyticum (P2(1)2(1)2(1)-medium)

Method: X-RAY DIFFRACTION D_max: 83.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qvp
deposition_date	2025-04-11
title	Crystal structure of the CtaG_H128A variant from Ruminiclostridium cellulolyticum (P2(1)2(1)2(1)-medium)
keywords	Amide Bond Formation; Antibiotics; Biosynthesis; Carrier proteins; Enzymes, Nonribosomal Peptide Synthetases, LIGASE; LIGASE
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	27.75 Å
rg_electron	26.92 Å
i0	84078000.00
molecular_weight	72297.0 kDa
excluded_volume	90548 Å³
envelope_volume	110480 Å³
shell_volume	33807 Å³
envelope_diameter	86.3 Å
shell_rg	34.67 Å
envelope_rg	26.75 Å
shape_rg	26.88 Å
total_rg	27.83 Å
total_atoms	5108
n_residues	612
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	83.9 Å
rg_real	27.64 Å
rg_real_error	0.50 Å
i0_real	8.4080e+07
i0_real_error	1.2080e+06
rg_reciprocal	27.68 Å
i0_reciprocal	84080000.0000
total_estimate	0.9095
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.9 Å
skewness	0.209
kurtosis	-0.536
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	40750000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.970; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.912

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	60.150 Å
length_b	100.140 Å
length_c	100.490 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	2.100 Å
resolution_low	30.000 Å
r_factor	0.2041
r_work	0.2024
r_free	0.2367

description	Butirosin biosynthesis protein H N-terminal domain-containing protein
formula_weight	37124.8 kDa
mutation	H128A
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	5162

Crystal structure of the CtaG_H128A variant from Ruminiclostridium cellulolyticum (P2(1)2(1)2(1)-medium)

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Ruminiclostridium cellulolyticum
ncbi_taxonomy_id	1521
host_organism	Escherichia coli BL21(DE3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	54

fit	/app/data/saxs_computation/qv/9qvp/9qvp.fit
pddf	/app/data/pr_computation/qv/9qvp/9qvp.pr.out
profile	/app/data/saxs_computation/qv/9qvp/9qvp.dat