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1b6s

STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE

Method: X-RAY DIFFRACTION D_max: 141.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b6s
deposition_date	1999-01-18
title	STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE
keywords	ATP-GRASP, CARBOXYPHOSPHATE, PURINE BIOSYNTHESIS, LYASE; LYASE
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	41.77 Å
rg_electron	41.55 Å
i0	374837000.00
molecular_weight	158110.0 kDa
excluded_volume	197690 Å³
envelope_volume	253570 Å³
shell_volume	52014 Å³
envelope_diameter	148.7 Å
shell_rg	45.60 Å
envelope_rg	41.10 Å
shape_rg	41.56 Å
total_rg	41.72 Å
total_atoms	11141
n_residues	1406
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	141.3 Å
rg_real	41.91 Å
rg_real_error	1.28 Å
i0_real	3.7480e+08
i0_real_error	6.4820e+06
rg_reciprocal	41.77 Å
i0_reciprocal	374800000.0000
total_estimate	0.8640
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	37.2 Å
skewness	0.366
kurtosis	-0.551
angular_range	— – 0.1900 Å⁻¹
current_alpha	0.0000
highest_alpha	93400000.0000
n_real_points	39
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.826; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.942; Smooth: 0.807

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE)
formula_weight	39529.0 kDa
ec_number	4.1.1.21
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11632

MKQVCVLGNGQLGRMLRQAGEPLGIAVWPVGLDAEPAAVPFQQSVITAEIERWPETALTRELARHPAFVNRDVFPIIADRLTQKQLFDKLHLPTAPWQLLAERSEWPAVFDRLGELAIVKRRTGGYDGRGQWRLRANETEQLPAECYGECIVEQGINFSGEVSLVGARGFDGSTVFYPLTHNLHQDGILRTSVAFPQANAQQQARAEEMLSAIMQELGYVGVMAMECFVTPQGLLINELAPRVHNSGHWTQNGASISQFELHLRAITDLPLPQPVVNNPSVMINLIGSDVNYDWLKLPLVHLHWYDKEVRPGRKVGHLNLTDSDTSRLTATLEALIPLLPPEYASGVIWAQSKFG

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	491

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6. Citations (1)

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length_a	60.600 Å
length_b	92.100 Å
length_c	102.600 Å
angle_alpha	66.10 °
angle_beta	82.70 °
angle_gamma	81.80 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.500 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1850
r_free	—

fit	/app/data/saxs_computation/b6/1b6s/1b6s.fit
pddf	/app/data/pr_computation/b6/1b6s/1b6s.pr.out
profile	/app/data/saxs_computation/b6/1b6s/1b6s.dat

STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE

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