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1ank

THE CLOSED CONFORMATION OF A HIGHLY FLEXIBLE PROTEIN: THE STRUCTURE OF E. COLI ADENYLATE KINASE WITH BOUND AMP AND AMPPNP

Method: X-RAY DIFFRACTION D_max: 85.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ank
deposition_date	1994-02-28
title	THE CLOSED CONFORMATION OF A HIGHLY FLEXIBLE PROTEIN: THE STRUCTURE OF E. COLI ADENYLATE KINASE WITH BOUND AMP AND AMPPNP
keywords	TRANSFERASE(PHOSPHOTRANSFERASE); TRANSFERASE(PHOSPHOTRANSFERASE)
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	26.50 Å
rg_electron	26.12 Å
i0	42952000.00
molecular_weight	48871.0 kDa
excluded_volume	60568 Å³
envelope_volume	75418 Å³
shell_volume	25134 Å³
envelope_diameter	88.3 Å
shell_rg	32.11 Å
envelope_rg	26.08 Å
shape_rg	26.12 Å
total_rg	26.80 Å
total_atoms	4192
n_residues	428
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	85.5 Å
rg_real	26.67 Å
rg_real_error	0.62 Å
i0_real	4.2950e+07
i0_real_error	6.2540e+05
rg_reciprocal	26.62 Å
i0_reciprocal	42950000.0000
total_estimate	0.8605
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.472
kurtosis	-0.470
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	10590000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.825; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.865; Smooth: 0.844

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ADENYLATE KINASE
formula_weight	23620.0 kDa
ec_number	2.7.4.3
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4725

MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562

Entity 2 non-polymer

description	ADENOSINE MONOPHOSPHATE
formula_weight	347.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
formula_weight	506.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	533

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6. Citations (2)

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length_a	109.700 Å
length_b	73.500 Å
length_c	79.600 Å
angle_alpha	90.00 °
angle_beta	131.97 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.000 Å
resolution_low	10.000 Å
r_factor	0.2010
r_work	0.2010
r_free	0.3160

fit	/app/data/saxs_computation/an/1ank/1ank.fit
pddf	/app/data/pr_computation/an/1ank/1ank.pr.out
profile	/app/data/saxs_computation/an/1ank/1ank.dat