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1b4n

FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS, COMPLEXED WITH GLUTARATE

Method: X-RAY DIFFRACTION D_max: 142.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b4n
deposition_date	1998-12-24
title	FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS, COMPLEXED WITH GLUTARATE
keywords	OXIDOREDUCTASE, TUNGSTOENZYME, MOCO, TUNGSTEN CONTAINING PROTEIN, HYPERTHERMOPHILE; OXIDOREDUCTASE
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	46.08 Å
rg_electron	45.94 Å
i0	1099060000.00
molecular_weight	277670.0 kDa
excluded_volume	347300 Å³
envelope_volume	428790 Å³
shell_volume	73733 Å³
envelope_diameter	145.3 Å
shell_rg	54.87 Å
envelope_rg	44.91 Å
shape_rg	46.05 Å
total_rg	45.86 Å
total_atoms	19416
n_residues	2444
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	142.9 Å
rg_real	45.86 Å
rg_real_error	1.05 Å
i0_real	1.0990e+09
i0_real_error	1.9380e+07
rg_reciprocal	46.08 Å
i0_reciprocal	1099000000.0000
total_estimate	0.8781
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	71.5 Å
skewness	0.025
kurtosis	-0.723
angular_range	— – 0.1700 Å⁻¹
current_alpha	0.0000
highest_alpha	390400000.0000
n_real_points	35
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.736

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE
formula_weight	68860.7 kDa
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	19600

MYGWWGRILRVNLTTGEVKVQEYPEEVAKKFIGGRGLAAWILWNEARGVEPLSPENKLIFAAGPFNGLPTPSGGKLVVAAKSPLTGGYGDGNLGTMASVHLRRAGYDALVVEGKAKKPVYIYIEDDNVSILSAEGLWGKTTFETERELKEIHGKNVGVLTIGPAGENLVKYAVVISQEGRAAGRPGMGAVMGSKKLKAVVIRGTKEIPVADKEELKKLSQEAYNEILNSPGYPFWKRQGTMAAVEWCNTNYALPTRNFSDGYFEFARSIDGYTMEGMKVQQRGCPYCNMPCGNVVLDAEGQESELDYENVALLGSNLGIGKLNEVSVLNRIADEMGMDTISLGVSIAHVMEAVERGILKEGPTFGDFKGAKQLALDIAYRKGELGNLAAEGVKAMAEKLGTHDFAMHVKGLEVSGYNCYIYPAMALAYGTSAIGAHHKEAWVIAWEIGTAPIEGEKAEKVEYKISYDPIKAQKVVELQRLRGGLFEMLTACRLPWVEVGLSLDYYPKLLKAITGVTYTWDDLYKAADRVYSLIRAYWVREFNGKWDRKMDYPPKRWFTEGLKSGPHKGEHLDEKKYDELLSEYYRIRGWDERGIPKKETLKELDLDFVIPELEKVTNLE

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	IRON/SULFUR CLUSTER
formula_weight	351.6 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	GLUTARIC ACID
formula_weight	132.1 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	TUNGSTOPTERIN COFACTOR
formula_weight	1031.9 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	184

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6. Citations (2)

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length_a	100.400 Å
length_b	170.500 Å
length_c	180.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	30.000 Å
r_factor	0.1770
r_work	0.1770
r_free	0.2440

fit	/app/data/saxs_computation/b4/1b4n/1b4n.fit
pddf	/app/data/pr_computation/b4/1b4n/1b4n.pr.out
profile	/app/data/saxs_computation/b4/1b4n/1b4n.dat