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1ahh

7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NAD+

Method: X-RAY DIFFRACTION D_max: 84.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ahh
deposition_date	1995-08-25
title	7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NAD+
keywords	OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE/REDUCTASE, COLON BACILLUS; 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	25.54 Å
rg_electron	24.70 Å
i0	51841400.00
molecular_weight	54384.0 kDa
excluded_volume	67477 Å³
envelope_volume	80173 Å³
shell_volume	27337 Å³
envelope_diameter	85.8 Å
shell_rg	31.81 Å
envelope_rg	24.93 Å
shape_rg	24.70 Å
total_rg	25.48 Å
total_atoms	3806
n_residues	506
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	84.4 Å
rg_real	25.56 Å
rg_real_error	0.69 Å
i0_real	5.1840e+07
i0_real_error	6.7950e+05
rg_reciprocal	25.56 Å
i0_reciprocal	51840000.0000
total_estimate	0.8875
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.383
kurtosis	-0.360
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	8839000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	7 ALPHA-HYDROXYSTEROID DEHYDROGENASE
formula_weight	26801.5 kDa
ec_number	1.1.1.159
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3904

MFNSDNLRLDGKCAIITGAGAGIGKEIAITFATAGASVVVSDINADAANHVVDEIQQLGGQAFACRCDITSEQELSALADFAISKLGKVDILVNNAGGGGPKPFDMPMADFRRAYELNVFSFFHLSQLVAPEMEKNGGGVILTITSMAAENKNINMTSYASSKAAASHLVRNMAFDLGEKNIRVNGIAPGAILTDALKSVITPEIEQKMLQHTPIRRLGQPQDIANAALFLCSPAASWVSGQILTVSGGGVQELN

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	98

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6. Citations (3)

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length_a	81.660 Å
length_b	81.660 Å
length_c	214.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.300 Å
resolution_low	8.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2650

fit	/app/data/saxs_computation/ah/1ahh/1ahh.fit
pddf	/app/data/pr_computation/ah/1ahh/1ahh.pr.out
profile	/app/data/saxs_computation/ah/1ahh/1ahh.dat

7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NAD+

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