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1e8k

Cyclophilin 3 Complexed With Dipeptide Ala-Pro

Method: X-RAY DIFFRACTION D_max: 47.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8k
deposition_date	2000-09-25
title	Cyclophilin 3 Complexed With Dipeptide Ala-Pro
keywords	ISOMERASE; ISOMERASE
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	15.55 Å
rg_electron	14.42 Å
i0	6757150.00
molecular_weight	18668.0 kDa
excluded_volume	23255 Å³
envelope_volume	24638 Å³
shell_volume	14158 Å³
envelope_diameter	46.7 Å
shell_rg	20.63 Å
envelope_rg	14.65 Å
shape_rg	14.39 Å
total_rg	15.62 Å
total_atoms	1310
n_residues	173
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	47.8 Å
rg_real	15.41 Å
rg_real_error	0.24 Å
i0_real	6.7570e+06
i0_real_error	7.4590e+04
rg_reciprocal	15.42 Å
i0_reciprocal	6757000.0000
total_estimate	0.8928
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.2 Å
skewness	0.010
kurtosis	-0.468
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1770000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.878; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 3
formula_weight	18576.2 kDa
ec_number	5.2.1.8
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1546

MSRSKVFFDITIGGKASGRIVMELYDDVVPKTAGNFRALCTGENGIGKSGKPLHFKGSKFHRIIPNFMIQGGDFTRGNGTGGESIYGEKFPDENFKEKHTGPGVLSMANAGPNTNGSQFFLCTVKTEWLDGKHVVFGRVVEGLDVVKAVESNGSQSGKPVKDCMIADCGQLKA

Source

organism	CAENORHABDITIS ELEGANS
ncbi_taxonomy_id	6239
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	ALANINE
formula_weight	89.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PROLINE
formula_weight	115.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	229

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6. Citations (2)

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length_a	61.035 Å
length_b	61.035 Å
length_c	122.660 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	0.1826
r_work	—
r_free	0.2505

fit	/app/data/saxs_computation/e8/1e8k/1e8k.fit
pddf	/app/data/pr_computation/e8/1e8k/1e8k.pr.out
profile	/app/data/saxs_computation/e8/1e8k/1e8k.dat

Cyclophilin 3 Complexed With Dipeptide Ala-Pro

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