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1ctq

STRUCTURE OF P21RAS IN COMPLEX WITH GPPNHP AT 100 K

Method: X-RAY DIFFRACTION D_max: 48.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ctq
deposition_date	1999-08-20
title	STRUCTURE OF P21RAS IN COMPLEX WITH GPPNHP AT 100 K
keywords	G PROTEIN, GTP HYDROLYSIS, KINETIC CRYSTALLOGRAPHY, SIGNALING PROTEIN; SIGNALING PROTEIN
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	16.23 Å
rg_electron	14.89 Å
i0	7821960.00
molecular_weight	19375.0 kDa
excluded_volume	23768 Å³
envelope_volume	26400 Å³
shell_volume	14688 Å³
envelope_diameter	47.5 Å
shell_rg	21.11 Å
envelope_rg	15.16 Å
shape_rg	14.89 Å
total_rg	15.95 Å
total_atoms	1355
n_residues	166
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	48.6 Å
rg_real	16.08 Å
rg_real_error	0.19 Å
i0_real	7.8220e+06
i0_real_error	7.9560e+04
rg_reciprocal	16.09 Å
i0_reciprocal	7822000.0000
total_estimate	0.7292
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	21.8 Å
skewness	0.011
kurtosis	-0.513
angular_range	— – 0.4900 Å⁻¹
current_alpha	0.0000
highest_alpha	1423000.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.926; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.972; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (TRANSFORMING PROTEIN P21/H-RAS-1)
formula_weight	18875.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1655

MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH

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	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
formula_weight	522.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	247

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6. Citations (1)

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length_a	39.670 Å
length_b	39.670 Å
length_c	158.409 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.260 Å
resolution_low	10.000 Å
r_factor	0.1720
r_work	0.1720
r_free	0.2240

fit	/app/data/saxs_computation/ct/1ctq/1ctq.fit
pddf	/app/data/pr_computation/ct/1ctq/1ctq.pr.out
profile	/app/data/saxs_computation/ct/1ctq/1ctq.dat

STRUCTURE OF P21RAS IN COMPLEX WITH GPPNHP AT 100 K

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