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1a27

HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 C-TERMINAL DELETION MUTANT COMPLEXED WITH ESTRADIOL AND NADP+

Method: X-RAY DIFFRACTION D_max: 76.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a27
deposition_date	1998-01-16
title	HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 C-TERMINAL DELETION MUTANT COMPLEXED WITH ESTRADIOL AND NADP+
keywords	DEHYDROGENASE, 17-BETA-HYDROXYSTEROID, MUTANT, ESTRADIOL, NADP; DEHYDROGENASE
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	20.42 Å
rg_electron	19.41 Å
i0	17866200.00
molecular_weight	32052.0 kDa
excluded_volume	40183 Å³
envelope_volume	46162 Å³
shell_volume	20046 Å³
envelope_diameter	65.8 Å
shell_rg	25.65 Å
envelope_rg	19.69 Å
shape_rg	19.45 Å
total_rg	20.13 Å
total_atoms	2249
n_residues	285
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	76.4 Å
rg_real	20.37 Å
rg_real_error	0.67 Å
i0_real	1.7870e+07
i0_real_error	2.7020e+05
rg_reciprocal	20.38 Å
i0_reciprocal	17870000.0000
total_estimate	0.5537
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	25.1 Å
skewness	0.316
kurtosis	-0.314
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	4076000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.555; Stabil: 1.000; Sysdev: 0.193; Positv: 1.000; Valcen: 0.948; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	17-BETA-HYDROXYSTEROID-DEHYDROGENASE
formula_weight	31473.3 kDa
ec_number	1.1.1.62
mutation	C-TERMINAL DELETION (290 - 327)
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2406

ARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVFLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	unidentified baculovirus

Entity 2 non-polymer

description	ESTRADIOL
formula_weight	272.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	157

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6. Citations (4)

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length_a	111.380 Å
length_b	48.540 Å
length_c	60.770 Å
angle_alpha	90.00 °
angle_beta	115.13 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.2100
r_free	0.2610

fit	/app/data/saxs_computation/a2/1a27/1a27.fit
pddf	/app/data/pr_computation/a2/1a27/1a27.pr.out
profile	/app/data/saxs_computation/a2/1a27/1a27.dat

HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 C-TERMINAL DELETION MUTANT COMPLEXED WITH ESTRADIOL AND 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