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1e4n

;Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural aglycone DIMBOA ;

Method: X-RAY DIFFRACTION D_max: 114.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e4n
deposition_date	2000-07-11
title	;Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural aglycone DIMBOA ;
keywords	;GLYCOSIDE HYDROLASE, BETA-GLUCOSIDASE, FAMILY 1, RETENTION OF THE ANOMERIC CONFIGURATION, INACTIVE MUTANT E191D, HYDROLASE COMPLEX WITH DIMBOA, HYDROLASE ;; 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	34.89 Å
rg_electron	34.49 Å
i0	191625000.00
molecular_weight	112330.0 kDa
excluded_volume	140280 Å³
envelope_volume	162760 Å³
shell_volume	40110 Å³
envelope_diameter	115.8 Å
shell_rg	40.15 Å
envelope_rg	34.39 Å
shape_rg	34.46 Å
total_rg	34.98 Å
total_atoms	7946
n_residues	978
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	114.2 Å
rg_real	35.08 Å
rg_real_error	0.86 Å
i0_real	1.9160e+08
i0_real_error	2.8040e+06
rg_reciprocal	34.97 Å
i0_reciprocal	191600000.0000
total_estimate	0.7702
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.0 Å
skewness	0.427
kurtosis	-0.669
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	81600000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.709; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.882; 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	58458.4 kDa
ec_number	3.2.1.21
mutation	YES
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8382

SARVGSQNGVQMLSPSEIPQRDWFPSDFTFGAATSAYQIEGAWNEDGKGESNWDHFCHNHPERILDGSNSDIGANSYHMYKTDVRLLKEMGMDAYRFSISWPRILPKGTKEGGINPDGIKYYRNLINLLLENGIEPYVTIFHWDVPQALEEKYGGFLDKSHKSIVEDYTYFAKVCFDNFGDKVKNWLTFNDPQTFTSFSYGTGVFAPGRCSPGLDCAYPTGNSLVEPYTAGHNILLAHAEAVDLYNKHYKRDDTRIGLAFDVMGRVPYGTSFLDKQAEERSWDINLGWFLEPVVRGDYPFSMRSLARERLPFFKDEQKEKLAGSYNMLGLNYYTSRFSKNIDISPNYSPVLNTDDAYASQEVNGPDGKPIGPPMGNPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGDVDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLDNFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTAKKPSKKILTPA

Source

organism	ZEA MAYS
common_name	MAIZE
ncbi_taxonomy_id	4577
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE
formula_weight	211.2 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	436

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6. Citations (2)

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length_a	91.570 Å
length_b	95.310 Å
length_c	117.760 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.100 Å
resolution_low	29.000 Å
r_factor	0.2230
r_work	0.2230
r_free	0.2690

fit	/app/data/saxs_computation/e4/1e4n/1e4n.fit
pddf	/app/data/pr_computation/e4/1e4n/1e4n.pr.out
profile	/app/data/saxs_computation/e4/1e4n/1e4n.dat

;Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural aglycone DIMBOA ;

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