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1dck

STRUCTURE OF UNPHOSPHORYLATED FIXJ-N COMPLEXED WITH MN2+

Method: X-RAY DIFFRACTION D_max: 69.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dck
deposition_date	1999-11-05
title	STRUCTURE OF UNPHOSPHORYLATED FIXJ-N COMPLEXED WITH MN2+
keywords	DOUBLY WOUND FIVE-STRANDED BETA/ALPHA FOLD, NITROGEN FIXATION REGULATION, TRANSCRIPTION; TRANSCRIPTION
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	22.32 Å
rg_electron	21.66 Å
i0	12867900.00
molecular_weight	27255.0 kDa
excluded_volume	34183 Å³
envelope_volume	42137 Å³
shell_volume	17025 Å³
envelope_diameter	71.0 Å
shell_rg	26.78 Å
envelope_rg	21.69 Å
shape_rg	21.64 Å
total_rg	22.42 Å
total_atoms	1901
n_residues	248
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	69.8 Å
rg_real	22.39 Å
rg_real_error	0.52 Å
i0_real	1.2870e+07
i0_real_error	1.7670e+05
rg_reciprocal	22.38 Å
i0_reciprocal	12870000.0000
total_estimate	0.8821
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.1 Å
skewness	0.359
kurtosis	-0.651
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	4706000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.942; Smooth: 0.950

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ
formula_weight	13880.0 kDa
mutation	T2Q, A125L
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2008

MQDYTVHIVDDEEPVRKSLAFMLTMNGFAVKMHQSAEAFLAFAPDVRNGVLVTDLRMPDMSGVELLRNLGDLKINIPSIVITGHGDVPMAVEAMKAGAVDFIEKPFEDTVIIEAIERASEHLVALE

Source

organism	Sinorhizobium meliloti
ncbi_taxonomy_id	382
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	POLYETHYLENE GLYCOL (N=34)
formula_weight	1529.8 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	94

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6. Citations (2)

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length_a	31.700 Å
length_b	42.500 Å
length_c	44.700 Å
angle_alpha	93.20 °
angle_beta	103.00 °
angle_gamma	101.80 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.000 Å
resolution_low	14.450 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2530

fit	/app/data/saxs_computation/dc/1dck/1dck.fit
pddf	/app/data/pr_computation/dc/1dck/1dck.pr.out
profile	/app/data/saxs_computation/dc/1dck/1dck.dat

STRUCTURE OF UNPHOSPHORYLATED FIXJ-N COMPLEXED WITH MN2+

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