FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND

Method: X-RAY DIFFRACTION D_max: 69.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bl4
deposition_date	1998-07-23
title	FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND
keywords	ISOMERASE, ROTAMASE; 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	20.43 Å
rg_electron	19.52 Å
i0	10739000.00
molecular_weight	24933.0 kDa
excluded_volume	31427 Å³
envelope_volume	37584 Å³
shell_volume	16707 Å³
envelope_diameter	69.1 Å
shell_rg	24.83 Å
envelope_rg	19.45 Å
shape_rg	19.48 Å
total_rg	20.45 Å
total_atoms	1756
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	69.4 Å
rg_real	20.42 Å
rg_real_error	0.55 Å
i0_real	1.0740e+07
i0_real_error	1.4670e+05
rg_reciprocal	20.43 Å
i0_reciprocal	10740000.0000
total_estimate	0.8765
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.8 Å
skewness	0.284
kurtosis	-0.562
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	2548000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.808; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	32.730 Å
length_b	41.850 Å
length_c	43.590 Å
angle_alpha	62.61 °
angle_beta	82.75 °
angle_gamma	85.29 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	0.1880
r_work	0.1880
r_free	0.2300

description	PROTEIN (FK506 BINDING PROTEIN)
formula_weight	11788.5 kDa
ec_number	5.2.1.8
mutation	F36V
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	1825

FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

description	{3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID
formula_weight	693.8 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	69

fit	/app/data/saxs_computation/bl/1bl4/1bl4.fit
pddf	/app/data/pr_computation/bl/1bl4/1bl4.pr.out
profile	/app/data/saxs_computation/bl/1bl4/1bl4.dat