N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE FROM E. COLI

Method: X-RAY DIFFRACTION D_max: 70.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b6r
deposition_date	1999-01-17
title	N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE FROM E. COLI
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	21.92 Å
rg_electron	20.90 Å
i0	25813100.00
molecular_weight	38895.0 kDa
excluded_volume	48753 Å³
envelope_volume	57453 Å³
shell_volume	22886 Å³
envelope_diameter	68.2 Å
shell_rg	27.69 Å
envelope_rg	21.00 Å
shape_rg	20.91 Å
total_rg	21.75 Å
total_atoms	2742
n_residues	349
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	70.6 Å
rg_real	21.79 Å
rg_real_error	0.47 Å
i0_real	2.5810e+07
i0_real_error	3.1350e+05
rg_reciprocal	21.82 Å
i0_reciprocal	25810000.0000
total_estimate	0.6220
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	28.4 Å
skewness	0.153
kurtosis	-0.541
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	9897000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 0.996; Sysdev: 0.145; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	93.400 Å
length_b	95.200 Å
length_c	120.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.100 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1970
r_free	—

description	PROTEIN (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE)
formula_weight	39528.0 kDa
ec_number	4.1.1.21
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2834

N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE FROM E. COLI

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	92

fit	/app/data/saxs_computation/b6/1b6r/1b6r.fit
pddf	/app/data/pr_computation/b6/1b6r/1b6r.pr.out
profile	/app/data/saxs_computation/b6/1b6r/1b6r.dat