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1ex7

;CRYSTAL STRUCTURE OF YEAST GUANYLATE KINASE IN COMPLEX WITH GUANOSINE-5'-MONOPHOSPHATE ;

Method: X-RAY DIFFRACTION D_max: 54.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ex7
deposition_date	2000-05-01
title	;CRYSTAL STRUCTURE OF YEAST GUANYLATE KINASE IN COMPLEX WITH GUANOSINE-5'-MONOPHOSPHATE ;
keywords	GUANYLATE KINASE, SUBSTRATE-INDUCED FIT, DOMAIN MOVEMENT, GMP, ATP, SUBSTRATE SPECIFICITY, TRANSFERASE; TRANSFERASE
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	17.62 Å
rg_electron	16.47 Å
i0	8490910.00
molecular_weight	21062.0 kDa
excluded_volume	26225 Å³
envelope_volume	30683 Å³
shell_volume	15775 Å³
envelope_diameter	53.1 Å
shell_rg	22.32 Å
envelope_rg	16.53 Å
shape_rg	16.44 Å
total_rg	17.53 Å
total_atoms	1480
n_residues	186
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	54.1 Å
rg_real	17.50 Å
rg_real_error	0.22 Å
i0_real	8.4910e+06
i0_real_error	9.0030e+04
rg_reciprocal	17.52 Å
i0_reciprocal	8491000.0000
total_estimate	0.9002
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.1 Å
skewness	0.121
kurtosis	-0.431
angular_range	— – 0.4500 Å⁻¹
current_alpha	0.0000
highest_alpha	1365000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.959

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	GUANYLATE KINASE
formula_weight	20533.2 kDa
ec_number	2.7.4.8
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1688

SRPIVISGPSGTGKSTLLKKLFAEYPDSFGFSVSSTTRTPRAGEVNGKDYNFVSVDEFKSMIKNNEFIEWAQFSGNYYGSTVASVKQVSKSGKTCILDIDMQGVKSVKAIPELNARFLFIAPPSVEDLKKRLEGRGTETEESINKRLSAAQAELAYAETGAHDKVIVNDDLDKAYKELKDFIFAEK

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GUANOSINE-5'-MONOPHOSPHATE
formula_weight	363.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	208

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6. Citations (1)

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length_a	50.625 Å
length_b	50.625 Å
length_c	155.327 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	1.900 Å
resolution_low	15.000 Å
r_factor	0.1701
r_work	0.1701
r_free	0.2570

fit	/app/data/saxs_computation/ex/1ex7/1ex7.fit
pddf	/app/data/pr_computation/ex/1ex7/1ex7.pr.out
profile	/app/data/saxs_computation/ex/1ex7/1ex7.dat

;CRYSTAL STRUCTURE OF YEAST GUANYLATE KINASE IN COMPLEX WITH GUANOSINE-5'-MONOPHOSPHATE ;

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