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1aa6

REDUCED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI

Method: X-RAY DIFFRACTION D_max: 78.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aa6
deposition_date	1997-01-23
title	REDUCED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI
keywords	;OXIDOREDUCTASE, SELENIUM, SELENOCYSTEINE, SECYS, MOLYBDENUM, MOLYBDOPTERIN, MPT, MOLYBDOPTERIN GUANINE DINUCLEOTIDE, MGD, IRON SULFUR CLUSTER, FE4S4, FORMATE, DEHYDROGENASE, ANAEROBIC ;; 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	25.63 Å
rg_electron	24.85 Å
i0	110055000.00
molecular_weight	79407.0 kDa
excluded_volume	97873 Å³
envelope_volume	111300 Å³
shell_volume	35534 Å³
envelope_diameter	80.6 Å
shell_rg	33.68 Å
envelope_rg	25.10 Å
shape_rg	24.91 Å
total_rg	25.54 Å
total_atoms	5547
n_residues	697
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	78.3 Å
rg_real	25.49 Å
rg_real_error	0.41 Å
i0_real	1.1010e+08
i0_real_error	1.5870e+06
rg_reciprocal	25.54 Å
i0_reciprocal	110100000.0000
total_estimate	0.9059
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.3 Å
skewness	0.183
kurtosis	-0.484
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	25250000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	FORMATE DEHYDROGENASE H
formula_weight	79465.7 kDa
ec_number	1.2.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5646

MKKVVTVCPYCASGCKINLVVDNGKIVRAEAAQGKTNQGTLCLKGYYGWDFINDTQILTPRLKTPMIRRQRGGKLEPVSWDEALNYVAERLSAIKEKYGPDAIQTTGSSRGTGNETNYVMQKFARAVIGTNNVDCCARVUHGPSVAGLHQSVGNGAMSNAINEIDNTDLVFVFGYNPADSHPIVANHVINAKRNGAKIIVCDPRKIETARIADMHIALKNGSNIALLNAMGHVIIEENLYDKAFVASRTEGFEEYRKIVEGYTPESVEDITGVSASEIRQAARMYAQAKSAAILWGMGVTQFYQGVETVRSLTSLAMLTGNLGKPHAGVNPVRGQNNVQGACDMGALPDTYPGYQYVKDPANREKFAKAWGVESLPAHTGYRISELPHRAAHGEVRAAYIMGEDPLQTDAELSAVRKAFEDLELVIVQDIFMTKTASAADVILPSTSWGEHEGVFTAADRGFQRFFKAVEPKWDLKTDWQIISEIATRMGYPMHYNNTQEIWDELRHLCPDFYGATYEKMGELGFIQWPCRDTSDADQGTSYLFKEKFDTPNGLAQFFTCDWVAPIDKLTDEYPMVLSTVREVGHYSCRSMTGNCAALAALADEPGYAQINTEDAKRLGIEDEALVWVHSRKGKIITRAQVSDRPNKGAIYMTYQWWIGACNELVTENLSPITKTPEYKYCAVRVEPIADQRAAEQYVIDEYNKLKTRLREAALA

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	IRON/SULFUR CLUSTER
formula_weight	351.6 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
formula_weight	740.6 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MOLYBDENUM(IV) ION
formula_weight	95.9 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	83

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6. Citations (2)

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length_a	146.400 Å
length_b	146.400 Å
length_c	82.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.300 Å
resolution_low	6.000 Å
r_factor	0.2170
r_work	0.2170
r_free	0.2870

fit	/app/data/saxs_computation/aa/1aa6/1aa6.fit
pddf	/app/data/pr_computation/aa/1aa6/1aa6.pr.out
profile	/app/data/saxs_computation/aa/1aa6/1aa6.dat