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1e3k

Human Progesteron Receptor Ligand Binding Domain in complex with the ligand metribolone (R1881)

Method: X-RAY DIFFRACTION D_max: 87.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3k
deposition_date	2000-06-19
title	Human Progesteron Receptor Ligand Binding Domain in complex with the ligand metribolone (R1881)
keywords	HUMAN PROGESTERONE RECEPTOR, LIGAND BINDING DOMAIN; HUMAN PROGESTERONE RECEPTOR
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	27.72 Å
rg_electron	26.78 Å
i0	48788700.00
molecular_weight	57877.0 kDa
excluded_volume	74060 Å³
envelope_volume	89098 Å³
shell_volume	28113 Å³
envelope_diameter	97.2 Å
shell_rg	33.58 Å
envelope_rg	26.80 Å
shape_rg	26.77 Å
total_rg	27.59 Å
total_atoms	4069
n_residues	500
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	87.3 Å
rg_real	27.72 Å
rg_real_error	0.54 Å
i0_real	4.8790e+07
i0_real_error	6.9510e+05
rg_reciprocal	27.72 Å
i0_reciprocal	48790000.0000
total_estimate	0.9057
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.6 Å
skewness	0.283
kurtosis	-0.625
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	12310000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.938; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROGESTERONE RECEPTOR
formula_weight	29738.8 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4070

SPGQDIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQTQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
formula_weight	284.4 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1

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6. Citations (1)

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length_a	58.402 Å
length_b	65.011 Å
length_c	71.181 Å
angle_alpha	90.00 °
angle_beta	95.65 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.800 Å
resolution_low	12.500 Å
r_factor	0.2400
r_work	0.2170
r_free	0.3430

fit	/app/data/saxs_computation/e3/1e3k/1e3k.fit
pddf	/app/data/pr_computation/e3/1e3k/1e3k.pr.out
profile	/app/data/saxs_computation/e3/1e3k/1e3k.dat

Human Progesteron Receptor Ligand Binding Domain in complex with the ligand metribolone (R1881)

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