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1al3

COFACTOR BINDING FRAGMENT OF CYSB FROM KLEBSIELLA AEROGENES

Method: X-RAY DIFFRACTION D_max: 63.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1al3
deposition_date	1997-06-10
title	COFACTOR BINDING FRAGMENT OF CYSB FROM KLEBSIELLA AEROGENES
keywords	LYSR FAMILY, CYSTEINE BIOSYNTHESIS, TRANSCRIPTION REGULATION; TRANSCRIPTION REGULATION
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	19.80 Å
rg_electron	19.09 Å
i0	12073100.00
molecular_weight	26435.0 kDa
excluded_volume	33270 Å³
envelope_volume	38137 Å³
shell_volume	17260 Å³
envelope_diameter	65.5 Å
shell_rg	24.55 Å
envelope_rg	19.24 Å
shape_rg	19.10 Å
total_rg	19.88 Å
total_atoms	1865
n_residues	237
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	63.9 Å
rg_real	19.79 Å
rg_real_error	0.50 Å
i0_real	1.2070e+07
i0_real_error	1.5670e+05
rg_reciprocal	19.79 Å
i0_reciprocal	12070000.0000
total_estimate	0.6571
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	23.4 Å
skewness	0.341
kurtosis	-0.369
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	2560000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 0.999; Sysdev: 0.338; Positv: 1.000; Valcen: 0.984; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYS REGULON TRANSCRIPTIONAL ACTIVATOR CYSB
formula_weight	36008.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2296

MKLQQLRYIVEVVNHNLNVSSTAEGLYTSQPGISKQVRMLEDELGIQIFARSGKHLTQVTPAGQEIIRIAREVLSKVDAIKSVAGEHTWPDKGSLYVATTHTQARYALPGVIKGFIERYPRVSLHMHQGSPTQIAEAVSKGNADFAIATEALHLYDDLVMLPCYHWNRSIVVTPEHPLATKGSVSIEELAQYPLVTYTFGFTGRSELDTAFNRAGLTPRIVFTATDADVIKTYVRLGLGVGVIASMAVDPVSDPDLVKLDANGIFSHSTTKIGFRRSTFLRSYMYDFIQRFAPHLTRDVVDTAVALRSNEDIEAMFKDIKLPEK

Source

organism	Klebsiella aerogenes
ncbi_taxonomy_id	28451
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	253

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6. Citations (1)

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length_a	66.380 Å
length_b	107.530 Å
length_c	32.740 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.800 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1790
r_free	0.2460

fit	/app/data/saxs_computation/al/1al3/1al3.fit
pddf	/app/data/pr_computation/al/1al3/1al3.pr.out
profile	/app/data/saxs_computation/al/1al3/1al3.dat

COFACTOR BINDING FRAGMENT OF CYSB FROM KLEBSIELLA AEROGENES

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