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1bpw

BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER

Method: X-RAY DIFFRACTION D_max: 114.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bpw
deposition_date	1998-08-12
title	BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER
keywords	OXIDOREDUCTASE, ALDEHYDE OXIDATION, NAD COMPLEX; 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	37.34 Å
rg_electron	36.65 Å
i0	728856000.00
molecular_weight	219970.0 kDa
excluded_volume	274980 Å³
envelope_volume	324650 Å³
shell_volume	70010 Å³
envelope_diameter	114.7 Å
shell_rg	45.52 Å
envelope_rg	36.54 Å
shape_rg	36.60 Å
total_rg	37.28 Å
total_atoms	15400
n_residues	2012
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	114.0 Å
rg_real	37.05 Å
rg_real_error	0.69 Å
i0_real	7.2890e+08
i0_real_error	1.1170e+07
rg_reciprocal	37.23 Å
i0_reciprocal	729000000.0000
total_estimate	0.9005
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	48.9 Å
skewness	0.052
kurtosis	-0.589
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	156500000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.947

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (ALDEHYDE DEHYDROGENASE)
formula_weight	54422.4 kDa
ec_number	1.2.1.8
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	15824

AQLVDSMPSASTGSVVVTDDLNYWGGRRIKSKDGATTEPVFEPATGRVLCQMVPCGAEEVDQAVQSAQAAYLKWSKMAGIERSRVMLEAARIIRERRDNIAKLEVINNGKTITEAEYDIDAAWQCIEYYAGLAPTLSGQHIQLPGGAFAYTRREPLGVCAGILAWNYPFMIAAWKCAPALACGNAVVFKPSPMTPVTGVILAEIFHEAGVPVGLVNVVQGGAETGSLLCHHPNVAKVSFTGSVPTGKKVMEMSAKTVKHVTLELGGKSPLLIFKDCELENAVRGALMANFLTQGQVCTNGTRVFVQREIMPQFLEEVVKRTKAIVVGDPLLTETRMGGLISKPQLDKVLGFVAQAKKEGARVLCGGEPLTPSDPKLKNGYFMSPCVLDNCRDDMTCVKEEIFGPVMSVLPFDTEEEVLQRANNTTFGLASGVFTRDISRAHRVAANLEAGTCYINTYSISPVEVPFGGYKMSGFGRENGQATVDYYSQLKTVIVEMGDVDSLF

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	424

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6. Citations (1)

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length_a	85.400 Å
length_b	86.570 Å
length_c	89.810 Å
angle_alpha	105.32 °
angle_beta	113.29 °
angle_gamma	98.16 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.800 Å
resolution_low	80.000 Å
r_factor	0.2390
r_work	0.2390
r_free	0.2570

fit	/app/data/saxs_computation/bp/1bpw/1bpw.fit
pddf	/app/data/pr_computation/bp/1bpw/1bpw.pr.out
profile	/app/data/saxs_computation/bp/1bpw/1bpw.dat

BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)