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1c4c

BINDING OF EXOGENOUSLY ADDED CARBON MONOXIDE AT THE ACTIVE SITE OF THE FE-ONLY HYDROGENASE (CPI) FROM CLOSTRIDIUM PASTEURIANUM

Method: X-RAY DIFFRACTION D_max: 83.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c4c
deposition_date	1999-08-16
title	BINDING OF EXOGENOUSLY ADDED CARBON MONOXIDE AT THE ACTIVE SITE OF THE FE-ONLY HYDROGENASE (CPI) FROM CLOSTRIDIUM PASTEURIANUM
keywords	METALLOPROTEINS, [FES] CLUSTERS, HYDROGEN OXIDATION, PROTON REDUCTION, OXIDOREDUCTASE; 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	25.48 Å
rg_electron	25.00 Å
i0	77749000.00
molecular_weight	65772.0 kDa
excluded_volume	80753 Å³
envelope_volume	94955 Å³
shell_volume	31298 Å³
envelope_diameter	84.0 Å
shell_rg	32.73 Å
envelope_rg	25.47 Å
shape_rg	25.14 Å
total_rg	25.34 Å
total_atoms	4514
n_residues	574
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	83.4 Å
rg_real	25.49 Å
rg_real_error	0.42 Å
i0_real	7.7750e+07
i0_real_error	1.0660e+06
rg_reciprocal	25.49 Å
i0_reciprocal	77750000.0000
total_estimate	0.8853
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	28.3 Å
skewness	0.394
kurtosis	-0.272
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	27020000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.936

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (FE-ONLY HYDROGENASE)
formula_weight	63911.1 kDa
ec_number	1.18.99.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4828

MKTIIINGVQFNTDEDTTILKFARDNNIDISALCFLNNCNNDINKCEICTVEVEGTGLVTACDTLIEDGMIINTNSDAVNEKIKSRISQLLDIHEFKCGPCNRRENCEFLKLVIKYKARASKPFLPKDKTEYVDERSKSLTVDRTKCLLCGRCVNACGKNTETYAMKFLNKNGKTIIGAEDEKCFDDTNCLLCGQCIIACPVAALSEKSHMDRVKNALNAPEKHVIVAMAPSVRASIGELFNMGFGVDVTGKIYTALRQLGFDKIFDINFGADMTIMEEATELVQRIENNGPFPMFTSCCPGWVRQAENYYPELLNNLSSAKSPQQIFGTASKTYYPSISGLDPKNVFTVTVMPCTSKKFEADRPQMEKDGLRDIDAVITTRELAKMIKDAKIPFAKLEDSEADPAMGEYSGAGAIFGATGGVMEAALRSAKDFAENAELEDIEYKQVRGLNGIKEAEVEINNNKYNVAVINGASNLFKFMKSGMINEKQYHFIEVMACHGGCVNGGGQPHVNPKDLEKVDIKKVRASVLYNQDEHLSKRKSHENTALVKMYQNYFGKPGEGRAHEILHFKYKK

Entity 2 non-polymer

description	2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER
formula_weight	366.9 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

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

Entity 4 non-polymer

description	FE2/S2 (INORGANIC) CLUSTER
formula_weight	175.8 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	314

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6. Citations (1)

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length_a	133.500 Å
length_b	83.800 Å
length_c	55.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	0.1930
r_work	0.1930
r_free	0.2400

fit	/app/data/saxs_computation/c4/1c4c/1c4c.fit
pddf	/app/data/pr_computation/c4/1c4c/1c4c.pr.out
profile	/app/data/saxs_computation/c4/1c4c/1c4c.dat

BINDING OF EXOGENOUSLY ADDED CARBON MONOXIDE AT THE ACTIVE SITE OF THE FE-ONLY HYDROGENASE (CPI) FROM CLOSTRIDIUM PASTEURIANUM

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