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1dy4

CBH1 IN COMPLEX WITH S-PROPRANOLOL

Method: X-RAY DIFFRACTION D_max: 67.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dy4
deposition_date	2000-01-26
title	CBH1 IN COMPLEX WITH S-PROPRANOLOL
keywords	HYDROLASE(O-GLYCOSYL), HYDROLASE, CELLULOSE DEAGRADATION, CHIRAL SEPARATION, GLYCOSIDASE, GLYCOPROTEIN; 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	21.69 Å
rg_electron	20.47 Å
i0	42053100.00
molecular_weight	46750.0 kDa
excluded_volume	56745 Å³
envelope_volume	65094 Å³
shell_volume	25656 Å³
envelope_diameter	69.9 Å
shell_rg	28.04 Å
envelope_rg	20.73 Å
shape_rg	20.43 Å
total_rg	21.39 Å
total_atoms	3269
n_residues	433
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	67.8 Å
rg_real	21.53 Å
rg_real_error	0.27 Å
i0_real	4.2050e+07
i0_real_error	4.9900e+05
rg_reciprocal	21.56 Å
i0_reciprocal	42050000.0000
total_estimate	0.8972
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.155
kurtosis	-0.404
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	8095000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	EXOGLUCANASE 1
formula_weight	46010.7 kDa
ec_number	3.2.1.91
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3611

QSACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNCYDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIGFVTQSAQKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMDADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNANTGIGGHGSCCSEMDIWEANSISEALTPHPCTTVGQEICEGDGCGGTYSDNRYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAINRYYVQNGVTFQQPNAELGSYSGNELNDDYCTAEEAEFGGSSFSDKGGLTQFKKATSGGMVLVMSLWDDYYANMLWLDSTYPTNETSSTPGAVRGSCSTSSGVPAQVESQSPNAKVTFSNIKFGPIGSTGNPSG

Entity 2 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL
formula_weight	259.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	342

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6. Citations (3)

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length_a	82.960 Å
length_b	83.110 Å
length_c	110.680 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	1.900 Å
resolution_low	30.000 Å
r_factor	0.1910
r_work	0.1910
r_free	0.2200

fit	/app/data/saxs_computation/dy/1dy4/1dy4.fit
pddf	/app/data/pr_computation/dy/1dy4/1dy4.pr.out
profile	/app/data/saxs_computation/dy/1dy4/1dy4.dat

CBH1 IN COMPLEX WITH S-PROPRANOLOL

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