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1c47

BINDING DRIVEN STRUCTURAL CHANGES IN CRYSTALINE PHOSPHOGLUCOMUTASE ASSOCIATED WITH CHEMICAL REACTION

Method: X-RAY DIFFRACTION D_max: 131.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c47
deposition_date	1999-08-11
title	BINDING DRIVEN STRUCTURAL CHANGES IN CRYSTALINE PHOSPHOGLUCOMUTASE ASSOCIATED WITH CHEMICAL REACTION
keywords	PHOSPHOGLUCOMUTASE, PHOSPHOTRANSFERASE WITH BOUND REACTION INTERMEDIATE, 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	36.99 Å
rg_electron	36.89 Å
i0	229293000.00
molecular_weight	123410.0 kDa
excluded_volume	154890 Å³
envelope_volume	193860 Å³
shell_volume	44932 Å³
envelope_diameter	140.2 Å
shell_rg	41.24 Å
envelope_rg	37.03 Å
shape_rg	36.91 Å
total_rg	37.12 Å
total_atoms	8680
n_residues	1122
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	131.4 Å
rg_real	37.31 Å
rg_real_error	1.47 Å
i0_real	2.2930e+08
i0_real_error	3.8540e+06
rg_reciprocal	37.11 Å
i0_reciprocal	229200000.0000
total_estimate	0.8176
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.6 Å
skewness	0.571
kurtosis	-0.134
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	69890000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.693; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.721; Smooth: 0.825

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE PHOSPHOTRANSFERASE
formula_weight	61499.9 kDa
ec_number	2.7.5.1
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8828

VKIVTVKTKAYPDQKPGTSGLRKRVKVFQSSTNYAENFIQSIISTVEPAQRQEATLVVGGDGRFYMKEAIQLIVRIAAANGIGRLVIGQNGILSTPAVSCIIRKIKAIGGIILTASHNPGGPNGDFGIKFNISNGGPAPEAITDKIFQISKTIEEYAICPDLKVDLGVLGKQQFDLENKFKPFTVEIVDSVEAYATMLRNIFDFNALKELLSGPNRLKIRIDAMHGVVGPYVKKILCEELGAPANSAVNCVPLEDFGGHHPDPNLTYAADLVETMKSGEHDFGAAFDGDGDRNMILGKHGFFVNPSDSVAVIAANIFSIPYFQQTGVRGFARSMPTSGALDRVANATKIALYETPTGWKFFGNLMDASKLSLCGEESFGTGSDHIREKDGLWAVLAWLSILATRKQSVEDILKDHWHKFGRNFFTRYDYEEVEAEGATKMMKDLEALMFDRSFVGKQFSANDKVYTVEKADNFEYHDPVDGSVSKNQGLRLIFADGSRIIFRLSGTGSAGATIRLYIDSYEKDNAKINQDPQVMLAPLISIALKVSQLQERTGRTAPTVIT

Entity 2 non-polymer

description	1,6-di-O-phosphono-alpha-D-glucopyranose
formula_weight	339.1 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	148

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6. Citations (7)

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length_a	174.420 Å
length_b	174.420 Å
length_c	101.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.700 Å
resolution_low	6.000 Å
r_factor	0.1830
r_work	0.1830
r_free	0.2480

fit	/app/data/saxs_computation/c4/1c47/1c47.fit
pddf	/app/data/pr_computation/c4/1c47/1c47.pr.out
profile	/app/data/saxs_computation/c4/1c47/1c47.dat

BINDING DRIVEN STRUCTURAL CHANGES IN CRYSTALINE PHOSPHOGLUCOMUTASE ASSOCIATED WITH CHEMICAL REACTION

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