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1e1f

Crystal structure of a Monocot (Maize ZMGlu1) beta-glucosidase in complex with p-Nitrophenyl-beta-D-thioglucoside

Method: X-RAY DIFFRACTION D_max: 115.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e1f
deposition_date	2000-05-03
title	Crystal structure of a Monocot (Maize ZMGlu1) beta-glucosidase in complex with p-Nitrophenyl-beta-D-thioglucoside
keywords	HYDROLASE, GLYCOSIDE HYDROLASE, BETA-GLUCOSIDASE, FAMILY 1, RETENTION OF THE ANOMERIC CONFIGURATION, PNP-BETA-D-THIOGLUCOSIDE; 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	35.21 Å
rg_electron	34.83 Å
i0	193401000.00
molecular_weight	112830.0 kDa
excluded_volume	140880 Å³
envelope_volume	167780 Å³
shell_volume	40908 Å³
envelope_diameter	116.3 Å
shell_rg	40.52 Å
envelope_rg	34.70 Å
shape_rg	34.79 Å
total_rg	35.31 Å
total_atoms	7976
n_residues	980
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	115.3 Å
rg_real	35.41 Å
rg_real_error	0.88 Å
i0_real	1.9340e+08
i0_real_error	3.0660e+06
rg_reciprocal	35.29 Å
i0_reciprocal	193400000.0000
total_estimate	0.7702
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.3 Å
skewness	0.423
kurtosis	-0.679
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	83720000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.710; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.878; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BETA-GLUCOSIDASE
formula_weight	58472.4 kDa
ec_number	3.2.1.21
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8374

SARVGSQNGVQMLSPSEIPQRDWFPSDFTFGAATSAYQIEGAWNEDGKGESNWDHFCHNHPERILDGSNSDIGANSYHMYKTDVRLLKEMGMDAYRFSISWPRILPKGTKEGGINPDGIKYYRNLINLLLENGIEPYVTIFHWDVPQALEEKYGGFLDKSHKSIVEDYTYFAKVCFDNFGDKVKNWLTFNEPQTFTSFSYGTGVFAPGRCSPGLDCAYPTGNSLVEPYTAGHNILLAHAEAVDLYNKHYKRDDTRIGLAFDVMGRVPYGTSFLDKQAEERSWDINLGWFLEPVVRGDYPFSMRSLARERLPFFKDEQKEKLAGSYNMLGLNYYTSRFSKNIDISPNYSPVLNTDDAYASQEVNGPDGKPIGPPMGNPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGDVDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLDNFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTAKKPSKKILTPA

Source

organism	ZEA MAYS
common_name	MAIZE
ncbi_taxonomy_id	4577
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	4-nitrophenyl 1-thio-beta-D-glucopyranoside
formula_weight	317.3 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	356

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6. Citations (1)

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length_a	59.640 Å
length_b	118.150 Å
length_c	80.880 Å
angle_alpha	90.00 °
angle_beta	94.33 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.600 Å
resolution_low	39.000 Å
r_factor	0.1990
r_work	0.1990
r_free	0.2520

fit	/app/data/saxs_computation/e1/1e1f/1e1f.fit
pddf	/app/data/pr_computation/e1/1e1f/1e1f.pr.out
profile	/app/data/saxs_computation/e1/1e1f/1e1f.dat

Crystal structure of a Monocot (Maize ZMGlu1) beta-glucosidase in complex with p-Nitrophenyl-beta-D-thioglucoside

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