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1byq

HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG

Method: X-RAY DIFFRACTION D_max: 58.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1byq
deposition_date	1998-10-19
title	HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG
keywords	CHAPERONE PROTEIN, ATP BINDING, CHAPERONE; CHAPERONE
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	18.23 Å
rg_electron	17.09 Å
i0	10800200.00
molecular_weight	24291.0 kDa
excluded_volume	30356 Å³
envelope_volume	35018 Å³
shell_volume	17125 Å³
envelope_diameter	61.4 Å
shell_rg	23.40 Å
envelope_rg	17.45 Å
shape_rg	17.08 Å
total_rg	18.12 Å
total_atoms	1706
n_residues	213
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	58.8 Å
rg_real	18.12 Å
rg_real_error	0.28 Å
i0_real	1.0800e+07
i0_real_error	1.2110e+05
rg_reciprocal	18.14 Å
i0_reciprocal	10800000.0000
total_estimate	0.8896
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.1 Å
skewness	0.144
kurtosis	-0.401
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	2096000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.857; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (HEAT SHOCK PROTEIN 90)
formula_weight	25670.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2090

DQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYETLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	384

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6. Citations (1)

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length_a	53.140 Å
length_b	42.500 Å
length_c	53.960 Å
angle_alpha	90.00 °
angle_beta	115.53 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.500 Å
resolution_low	10.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2470

fit	/app/data/saxs_computation/by/1byq/1byq.fit
pddf	/app/data/pr_computation/by/1byq/1byq.pr.out
profile	/app/data/saxs_computation/by/1byq/1byq.dat

HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG

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