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1d7i

FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS)

Method: X-RAY DIFFRACTION D_max: 68.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d7i
deposition_date	1999-10-18
title	FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS)
keywords	ISOMERASE, IMMUNOPHILIN, FKBP, METHYL METHYLSULFINYLMETHYL SULFIDE, DSS; 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	21.80 Å
rg_electron	21.03 Å
i0	10651600.00
molecular_weight	24116.0 kDa
excluded_volume	30044 Å³
envelope_volume	37531 Å³
shell_volume	15626 Å³
envelope_diameter	67.2 Å
shell_rg	26.20 Å
envelope_rg	20.75 Å
shape_rg	21.01 Å
total_rg	21.80 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	68.7 Å
rg_real	21.82 Å
rg_real_error	0.58 Å
i0_real	1.0650e+07
i0_real_error	1.4540e+05
rg_reciprocal	21.82 Å
i0_reciprocal	10650000.0000
total_estimate	0.9032
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	20.5 Å
skewness	0.256
kurtosis	-0.673
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	1304000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.943; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.937; Smooth: 0.970

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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	1802

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	METHYL METHYLSULFINYLMETHYL SULFIDE
formula_weight	124.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	114

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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	1.900 Å
resolution_low	20.000 Å
r_factor	0.2120
r_work	0.2120
r_free	0.2830

fit	/app/data/saxs_computation/d7/1d7i/1d7i.fit
pddf	/app/data/pr_computation/d7/1d7i/1d7i.pr.out
profile	/app/data/saxs_computation/d7/1d7i/1d7i.dat