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1b3r

RAT LIVER S-ADENOSYLHOMOCYSTEIN HYDROLASE

Method: X-RAY DIFFRACTION D_max: 112.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b3r
deposition_date	1998-12-14
title	RAT LIVER S-ADENOSYLHOMOCYSTEIN HYDROLASE
keywords	ADEONSYLHOMOCYSTEINE, HYDROLASE, ADOHCY, ADOHCYASE; HYDROLASE
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	35.82 Å
rg_electron	35.43 Å
i0	549320000.00
molecular_weight	191000.0 kDa
excluded_volume	239220 Å³
envelope_volume	284840 Å³
shell_volume	64162 Å³
envelope_diameter	118.2 Å
shell_rg	43.80 Å
envelope_rg	35.42 Å
shape_rg	35.47 Å
total_rg	35.79 Å
total_atoms	16296
n_residues	1712
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	112.8 Å
rg_real	35.64 Å
rg_real_error	0.91 Å
i0_real	5.4930e+08
i0_real_error	9.3740e+06
rg_reciprocal	35.75 Å
i0_reciprocal	549400000.0000
total_estimate	0.8896
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	46.1 Å
skewness	0.207
kurtosis	-0.385
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	138600000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.886

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (S-ADENOSYLHOMOCYSTEINE HYDROLASE)
formula_weight	47465.7 kDa
ec_number	3.3.1.1
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	17535

ADKLPYKVADIGLAAWGRKALDIAENEMPGLMRMREMYSASKPLKGARIAGCLHMTVETAVLIETLVALGAEVRWSSCNIFSTQDHAAAAIAKAGIPVFAWKGETDEEYLWCIEQTLHFKDGPLNMILDDGGDLTNLIHTKHPQLLSGIRGISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLIDGIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQAAMEGYEVTTMDEACKEGNIFVTTTGCVDIILGRHFEQMKDDAIVCNIGHFDVEIDVKWLNENAVEKVNIKPQVDRYLLKNGHRIILLAEGRLVNLGCAMGHPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLNVKLTKLTEKQAQYLGMPINGPFKPDHYRY

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

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	413

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6. Citations (1)

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length_a	94.760 Å
length_b	134.480 Å
length_c	102.260 Å
angle_alpha	90.00 °
angle_beta	114.35 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1990
r_free	0.2690

fit	/app/data/saxs_computation/b3/1b3r/1b3r.fit
pddf	/app/data/pr_computation/b3/1b3r/1b3r.pr.out
profile	/app/data/saxs_computation/b3/1b3r/1b3r.dat

RAT LIVER S-ADENOSYLHOMOCYSTEIN HYDROLASE

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