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1afs

RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE

Method: X-RAY DIFFRACTION D_max: 98.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1afs
deposition_date	1997-03-13
title	RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE
keywords	OXIDOREDUCTASE, NAD; 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	27.78 Å
rg_electron	26.95 Å
i0	89164000.00
molecular_weight	75396.0 kDa
excluded_volume	94843 Å³
envelope_volume	109520 Å³
shell_volume	33633 Å³
envelope_diameter	110.3 Å
shell_rg	34.31 Å
envelope_rg	27.11 Å
shape_rg	26.97 Å
total_rg	27.61 Å
total_atoms	5300
n_residues	638
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	98.4 Å
rg_real	27.79 Å
rg_real_error	0.89 Å
i0_real	8.9160e+07
i0_real_error	1.4440e+06
rg_reciprocal	27.79 Å
i0_reciprocal	89160000.0000
total_estimate	0.5629
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	32.8 Å
skewness	0.404
kurtosis	-0.192
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	29130000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.712; Stabil: 0.999; Sysdev: 0.075; Positv: 1.000; Valcen: 0.956; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	3-ALPHA-HYDROXYSTEROID DEHYDROGENASE
formula_weight	37192.6 kDa
ec_number	1.1.1.50
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5358

MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDEN

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	unidentified

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	TESTOSTERONE
formula_weight	288.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	58

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6. Citations (3)

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length_a	96.400 Å
length_b	157.100 Å
length_c	49.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.500 Å
resolution_low	8.000 Å
r_factor	0.1880
r_work	0.1880
r_free	0.2420

fit	/app/data/saxs_computation/af/1afs/1afs.fit
pddf	/app/data/pr_computation/af/1afs/1afs.pr.out
profile	/app/data/saxs_computation/af/1afs/1afs.dat

RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE

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