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1a4c

AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS

Method: X-RAY DIFFRACTION D_max: 129.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a4c
deposition_date	1998-01-28
title	AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
keywords	ELECTRON TRANSPORT, CUPROPROTEIN; ELECTRON TRANSPORT
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	42.25 Å
rg_electron	42.55 Å
i0	53840600.00
molecular_weight	56694.0 kDa
excluded_volume	69626 Å³
envelope_volume	107920 Å³
shell_volume	21918 Å³
envelope_diameter	133.3 Å
shell_rg	46.51 Å
envelope_rg	40.15 Å
shape_rg	42.54 Å
total_rg	42.80 Å
total_atoms	4830
n_residues	516
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	129.9 Å
rg_real	42.54 Å
rg_real_error	1.46 Å
i0_real	5.3840e+07
i0_real_error	9.7960e+05
rg_reciprocal	42.26 Å
i0_reciprocal	53820000.0000
total_estimate	0.6403
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	21.1 Å
skewness	0.195
kurtosis	-0.900
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	981600.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.317; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.368; Smooth: 0.003

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	AZURIN
formula_weight	14004.9 kDa
mutation	M121H
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	6192

AQCEATIESNDAMQYDLKEMVVDKSCKQFTVHLKHVGKMAKSAMGHNWVLTKEADKEGVATDGMNAGLAQDYVKAGDTRVIAHTKVIGGGESDSVTFDVSKLTPGEAYAYFCSFPGHWAMHKGTLKLSN

Source

organism	Achromobacter denitrificans
ncbi_taxonomy_id	32002
host_organism	Escherichia coli

Entity 2 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	NITRATE ION
formula_weight	62.0 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	454

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6. Citations (1)

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length_a	99.600 Å
length_b	100.010 Å
length_c	53.940 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.450 Å
resolution_low	8.000 Å
r_factor	0.2093
r_work	0.2093
r_free	—

fit	/app/data/saxs_computation/a4/1a4c/1a4c.fit
pddf	/app/data/pr_computation/a4/1a4c/1a4c.pr.out
profile	/app/data/saxs_computation/a4/1a4c/1a4c.dat