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9qvj

Crystal structure of CtaG from Ruminiclostridium cellulolyticum (P2(1)-medium)

Method: X-RAY DIFFRACTION D_max: 98.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qvj
deposition_date	2025-04-11
title	Crystal structure of CtaG from Ruminiclostridium cellulolyticum (P2(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	30.91 Å
rg_electron	30.39 Å
i0	83555400.00
molecular_weight	72714.0 kDa
excluded_volume	91049 Å³
envelope_volume	113040 Å³
shell_volume	31929 Å³
envelope_diameter	104.8 Å
shell_rg	36.45 Å
envelope_rg	30.27 Å
shape_rg	30.36 Å
total_rg	31.04 Å
total_atoms	5138
n_residues	614
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	98.8 Å
rg_real	31.02 Å
rg_real_error	0.77 Å
i0_real	8.3560e+07
i0_real_error	1.2290e+06
rg_reciprocal	30.98 Å
i0_reciprocal	83550000.0000
total_estimate	0.8833
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.0 Å
skewness	0.385
kurtosis	-0.511
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	29520000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.903; Smooth: 0.814

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Butirosin biosynthesis protein H N-terminal domain-containing protein
formula_weight	37295.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5325

GSHMASMLLDTFQGYNCYSSALGEYAKQKNIDQVENIILSQWSFFFDEEQFYKNQWYTGAADGPVDVVLNEDLRNFANIEVLEHISSESQAIDEGRKVLEKHGLQIVLMDFYYMNSFNWKSLSRFNVTREHDPHFAVLTQINENSVHIIDPYYHHEENMSMEDFIKSRNSMTKQGKISFNSYEIFSNGTKKSNIKELLYYRFNRYLQEKMFGKITQFGQVVKKQLDNKDRKWAFTGYNCLNSVVYQHQNLINLQKKFSLEMPPNLQELLDNWALIRKKLFEYYSRGSYNTEEISNLICKVASSEEQFAQEVLKVLC

Source

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

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	176

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6. Citations (1)

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length_a	59.070 Å
length_b	60.350 Å
length_c	82.960 Å
angle_alpha	90.00 °
angle_beta	99.04 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.550 Å
resolution_low	30.000 Å
r_factor	0.1589
r_work	0.1573
r_free	0.1874

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

Crystal structure of CtaG from Ruminiclostridium cellulolyticum (P2(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