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1equ

TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+

Method: X-RAY DIFFRACTION D_max: 83.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1equ
deposition_date	1998-12-02
title	TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+
keywords	HYDROXYSTEROID DEHYDROGENASE, SHORT CHAIN DEHYDROGENASE, REDUCTASE, OXIDOREDUCTASE; OXIDOREDUCTASE
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	24.92 Å
rg_electron	23.78 Å
i0	66556600.00
molecular_weight	63713.0 kDa
excluded_volume	79788 Å³
envelope_volume	91209 Å³
shell_volume	31207 Å³
envelope_diameter	86.2 Å
shell_rg	31.76 Å
envelope_rg	23.97 Å
shape_rg	23.81 Å
total_rg	24.54 Å
total_atoms	4470
n_residues	568
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	83.8 Å
rg_real	24.83 Å
rg_real_error	0.57 Å
i0_real	6.6560e+07
i0_real_error	1.0060e+06
rg_reciprocal	24.85 Å
i0_reciprocal	66560000.0000
total_estimate	0.7988
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.3 Å
skewness	0.299
kurtosis	-0.250
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	18940000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.795; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (ESTRADIOL 17 BETA-DEHYDROGENASE 1)
formula_weight	34887.8 kDa
ec_number	1.1.1.62
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4488

ARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVFLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGGGAGPGAEDEAGRSAVGDPELGDPPAAPQ

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	EQUILIN
formula_weight	268.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	18

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6. Citations (1)

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length_a	44.020 Å
length_b	114.160 Å
length_c	114.840 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	3.000 Å
resolution_low	12.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.3150

fit	/app/data/saxs_computation/eq/1equ/1equ.fit
pddf	/app/data/pr_computation/eq/1equ/1equ.pr.out
profile	/app/data/saxs_computation/eq/1equ/1equ.dat

TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+

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