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1e56

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

Method: X-RAY DIFFRACTION D_max: 115.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e56
deposition_date	2000-07-18
title	;Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural substrate DIMBOA-beta-D-glucoside ;
keywords	;GLYCOSIDE HYDROLASE, BETA-GLUCOSIDASE, FAMILY 1, RETENTION OF THE ANOMERIC CONFIGURATION, INACTIVE MUTANT E191D, COMPLEX WITH DIMBOA-GLUCOSIDE, 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	35.11 Å
rg_electron	34.71 Å
i0	192487000.00
molecular_weight	112540.0 kDa
excluded_volume	140530 Å³
envelope_volume	165850 Å³
shell_volume	40594 Å³
envelope_diameter	116.6 Å
shell_rg	40.31 Å
envelope_rg	34.62 Å
shape_rg	34.68 Å
total_rg	35.19 Å
total_atoms	7960
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	115.0 Å
rg_real	35.31 Å
rg_real_error	0.91 Å
i0_real	1.9250e+08
i0_real_error	2.9520e+06
rg_reciprocal	35.19 Å
i0_reciprocal	192500000.0000
total_estimate	0.8352
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.2 Å
skewness	0.425
kurtosis	-0.677
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	84440000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.707; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.878; Smooth: 0.855

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	8316

SARVGSQNGVQMLSPSEIPQRDWFPSDFTFGAATSAYQIEGAWNEDGKGESNWDHFCHNHPERILDGSNSDIGANSYHMYKTDVRLLKEMGMDAYRFSISWPRILPKGTKEGGINPDGIKYYRNLINLLLENGIEPYVTIFHWDVPQALEEKYGGFLDKSHKSIVEDYTYFAKVCFDNFGDKVKNWLTFNDPQTFTSFSYGTGVFAPGRCSPGLDCAYPTGNSLVEPYTAGHNILLAHAEAVDLYNKHYKRDDTRIGLAFDVMGRVPYGTSFLDKQAEERSWDINLGWFLEPVVRGDYPFSMRSLARERLPFFKDEQKEKLAGSYNMLGLNYYTSRFSKNIDISPNYSPVLNTDDAYASQEVNGPDGKPIGPPMGNPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGDVDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLDNFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTAKKPSKKILTPA

Source

organism	ZEA MAYS
common_name	MAIZE
ncbi_taxonomy_id	4577
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	beta-D-glucopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	2

Entity 3 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 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	320

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6. Citations (2)

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length_a	93.100 Å
length_b	95.300 Å
length_c	119.700 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	0.2280
r_work	0.2280
r_free	0.2670

fit	/app/data/saxs_computation/e5/1e56/1e56.fit
pddf	/app/data/pr_computation/e5/1e56/1e56.pr.out
profile	/app/data/saxs_computation/e5/1e56/1e56.dat

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

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