← Back to search

1e2u

Low Temperature Structure of Hybrid Cluster Protein from Desulfovibrio vulgaris to 1.6A

Method: X-RAY DIFFRACTION D_max: 79.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1e2u
deposition_date	2000-05-26
title	Low Temperature Structure of Hybrid Cluster Protein from Desulfovibrio vulgaris to 1.6A
keywords	OXIDOREDUCTASE, CUBANE, IRON SULFUR, FUSCOREDOXIN; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	24.00 Å
rg_electron	23.19 Å
i0	59341600.00
molecular_weight	60689.0 kDa
excluded_volume	76104 Å³
envelope_volume	86646 Å³
shell_volume	30257 Å³
envelope_diameter	82.5 Å
shell_rg	31.20 Å
envelope_rg	23.64 Å
shape_rg	23.25 Å
total_rg	23.85 Å
total_atoms	4235
n_residues	552
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

▼

3. P(r) Analysis (GNOM)

dmax	79.7 Å
rg_real	23.91 Å
rg_real_error	0.49 Å
i0_real	5.9340e+07
i0_real_error	7.7280e+05
rg_reciprocal	23.93 Å
i0_reciprocal	59340000.0000
total_estimate	0.6944
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.6 Å
skewness	0.289
kurtosis	-0.302
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	13880000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.813; Stabil: 1.000; Sysdev: 0.203; Positv: 1.000; Valcen: 1.000; Smooth: 0.976

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	HYDROXYLAMINE REDUCTASE
formula_weight	60074.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4874

MFCFQCQETAKNTGCTVKGMCGKPEETANLQDLLIFVLRGIAIYGEKLKELGQPDRSNDDFVLQGLFATITNANWDDARFEAMISEGLARRDKLRNAFLAVYKAKNGKDFSEPLPEAATWTGDSTAFAEKAKSVGILATENEDVRSLRELLIIGLKGVAAYAEHAAVLGFRKTEIDEFMLEALASTTKDLSVDEMVALVMKAGGMAVTTMALLDEANTTTYGNPEITQVNIGVGKNPGILISGHDLKDMAELLKQTEGTGVDVYTHGEMLPANYYPAFKKYPHFVGNYGGSWWQQNPEFESFNGPILLTTNCLVPLKKENTYLDRLYTTGVVGYEGAKHIADRPAGGAKDFSALIAQAKKCPPPVEIETGSIVGGFAHHQVLALADKVVEAVKSGAIKRFVVMAGCDGRQKSRSYYTEVAENLPKDTVILTAGCAKYRYNKLNLGDIGGIPRVLDAGQCNDSYSLAVIALKLKEVFGLDDINDLPVSYDIAWYEQKAVAVLLALLFLGVKGIRLGPTLPAFLSPNVAKVLVENFNIKPIGTVQDDIAAMMAGK

Source

organism	DESULFOVIBRIO VULGARIS
ncbi_taxonomy_id	881
host_organism	DESULFOVIBRIO VULGARIS

Entity 2 non-polymer

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

Entity 3 non-polymer

description	IRON/SULFUR/OXYGEN HYBRID CLUSTER
formula_weight	367.6 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	630

▶

6. Citations (1)

▶

length_a	63.630 Å
length_b	64.680 Å
length_c	152.290 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.600 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1600
r_free	0.1840

fit	/app/data/saxs_computation/e2/1e2u/1e2u.fit
pddf	/app/data/pr_computation/e2/1e2u/1e2u.pr.out
profile	/app/data/saxs_computation/e2/1e2u/1e2u.dat

Low Temperature Structure of Hybrid Cluster Protein from Desulfovibrio vulgaris to 1.6A

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