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1d7j

FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE

Method: X-RAY DIFFRACTION D_max: 68.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d7j
deposition_date	1999-10-18
title	FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE
keywords	ISOMERASE, IMMUNOPHILIN, FKBP, BUQ, 4-HYDROXY-2-BUTANONE; 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	21.77 Å
rg_electron	20.98 Å
i0	10477100.00
molecular_weight	24043.0 kDa
excluded_volume	30014 Å³
envelope_volume	37145 Å³
shell_volume	15503 Å³
envelope_diameter	67.0 Å
shell_rg	26.11 Å
envelope_rg	20.69 Å
shape_rg	20.95 Å
total_rg	21.77 Å
total_atoms	1688
n_residues	214
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	68.1 Å
rg_real	21.78 Å
rg_real_error	0.52 Å
i0_real	1.0480e+07
i0_real_error	1.3220e+05
rg_reciprocal	21.78 Å
i0_reciprocal	10480000.0000
total_estimate	0.8920
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.3 Å
skewness	0.252
kurtosis	-0.673
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	1115000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.949; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.949; Smooth: 0.797

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (FK506-BINDING PROTEIN)
formula_weight	11836.5 kDa
ec_number	5.2.1.8
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	1829

GVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	AMMONIUM ION
formula_weight	18.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	4-HYDROXY-2-BUTANONE
formula_weight	88.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	129

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6. Citations (2)

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length_a	102.800 Å
length_b	36.450 Å
length_c	56.000 Å
angle_alpha	90.00 °
angle_beta	96.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.850 Å
resolution_low	20.000 Å
r_factor	0.1910
r_work	0.1910
r_free	0.2540

fit	/app/data/saxs_computation/d7/1d7j/1d7j.fit
pddf	/app/data/pr_computation/d7/1d7j/1d7j.pr.out
profile	/app/data/saxs_computation/d7/1d7j/1d7j.dat