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1biq

RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN MUTANT E238A

Method: X-RAY DIFFRACTION D_max: 83.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1biq
deposition_date	1998-06-18
title	RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN MUTANT E238A
keywords	OXIDOREDUCTASE, DNA REPLICATION, IRON; OXIDOREDUCTASE
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	27.05 Å
rg_electron	25.95 Å
i0	120016000.00
molecular_weight	82502.0 kDa
excluded_volume	100250 Å³
envelope_volume	112440 Å³
shell_volume	35326 Å³
envelope_diameter	87.8 Å
shell_rg	34.48 Å
envelope_rg	26.14 Å
shape_rg	25.92 Å
total_rg	26.79 Å
total_atoms	5596
n_residues	680
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	83.1 Å
rg_real	26.97 Å
rg_real_error	0.50 Å
i0_real	1.2000e+08
i0_real_error	1.6320e+06
rg_reciprocal	27.00 Å
i0_reciprocal	120000000.0000
total_estimate	0.9078
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	31.0 Å
skewness	0.249
kurtosis	-0.481
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	14810000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.956; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.928

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE
formula_weight	43368.8 kDa
ec_number	1.17.4.1
mutation	Y122F, E238A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5921

AYTTFSQTKNDQLKEPMFFGQPVNVARYDQQKYDIFEKLIEKQLSFFWRPEEVDVSRDRIDYQALPEHEKHIFISNLKYQTLLDSIQGRSPNVALLPLISIPELETWVETWAFSETIHSRSFTHIIRNIVNDPSVVFDDIVTNEQIQKRAEGISSYYDELIEMTSYWHLLGEGTHTVNGKTVTVSLRELKKKLYLCLMSVNALEAIRYYVSFACSFAFAERELMEGNAKIIRLIARDAALHLTGTQHMLNLLRSGADDPEMAEIAEECKQECYDLFVQAAQQEKDWADYLFRDGSMIGLNKDILCQYVEYITNIRMQAVGLDLPFQTRSNPIPWINTWLVSDNVQVAPQEVEVSSYLVGQIDSEVDTDDLSNFQL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE
formula_weight	43352.8 kDa
ec_number	1.17.4.1
mutation	Y122F, E238A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

AYTTFSQTKNDQLKEPMFFGQPVNVARYDQQKYDIFEKLIEKQLSFFWRPEEVDVSRDRIDYQALPEHEKHIFISNLKYQTLLDSIQGRSPNVALLPLISIPELETWVETWAFSETIHSRSFTHIIRNIVNDPSVVFDDIVTNEQIQKRAEGISSYYDELIEMTSYWHLLGEGTHTVNGKTVTVSLRELKKKLYLCLMSVNALEAIRFYVSFACSFAFAERELMEGNAKIIRLIARDAALHLTGTQHMLNLLRSGADDPEMAEIAEECKQECYDLFVQAAQQEKDWADYLFRDGSMIGLNKDILCQYVEYITNIRMQAVGLDLPFQTRSNPIPWINTWLVSDNVQVAPQEVEVSSYLVGQIDSEVDTDDLSNFQL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 3 non-polymer

description	FE (II) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	FE (III) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	HYDROXIDE ION
formula_weight	17.0 kDa
src_method	syn
entity_count	3

Entity 6 non-polymer

description	MERCURY (II) ION
formula_weight	200.6 kDa
src_method	syn
entity_count	16

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	325

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6. Citations (2)

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length_a	74.053 Å
length_b	83.780 Å
length_c	113.953 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.050 Å
resolution_low	25.000 Å
r_factor	0.1920
r_work	0.1910
r_free	0.2600

fit	/app/data/saxs_computation/bi/1biq/1biq.fit
pddf	/app/data/pr_computation/bi/1biq/1biq.pr.out
profile	/app/data/saxs_computation/bi/1biq/1biq.dat

RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN MUTANT E238A

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 (7)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)