← Back to search

1ahi

7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID

Method: X-RAY DIFFRACTION D_max: 83.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ahi
deposition_date	1995-08-25
title	7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID
keywords	OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE/REDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	25.22 Å
rg_electron	24.27 Å
i0	52810000.00
molecular_weight	55657.0 kDa
excluded_volume	69358 Å³
envelope_volume	80086 Å³
shell_volume	27560 Å³
envelope_diameter	86.8 Å
shell_rg	31.53 Å
envelope_rg	24.63 Å
shape_rg	24.27 Å
total_rg	25.06 Å
total_atoms	3896
n_residues	510
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

▼

3. P(r) Analysis (GNOM)

dmax	83.6 Å
rg_real	25.23 Å
rg_real_error	0.56 Å
i0_real	5.2810e+07
i0_real_error	7.5480e+05
rg_reciprocal	25.23 Å
i0_reciprocal	52810000.0000
total_estimate	0.8841
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.9 Å
skewness	0.397
kurtosis	-0.284
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	10160000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.966; Smooth: 0.982

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

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	4000

MFNSDNLRLDGKCAIITGAGAGIGKEIAITFATAGASVVVSDINADAANHVVDEIQQLGGQAFACRCDITSEQELSALADFAISKLGKVDILVNNAGGGGPKPFDMPMADFRRAYELNVFSFFHLSQLVAPEMEKNGGGVILTITSMAAENKNINMTSYASSKAAASHLVRNMAFDLGEKNIRVNGIAPGAILTDALKSVITPEIEQKMLQHTPIRRLGQPQDIANAALFLCSPAASWVSGQILTVSGGGVQELN

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCOCHENODEOXYCHOLIC ACID
formula_weight	449.6 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
formula_weight	665.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	104

▶

6. Citations (3)

▶

length_a	81.590 Å
length_b	81.590 Å
length_c	214.650 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	0.1800
r_work	0.1800
r_free	0.2500

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

7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID

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