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1ebv

OVINE PGHS-1 COMPLEXED WITH SALICYL HYDROXAMIC ACID

Method: X-RAY DIFFRACTION D_max: 77.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ebv
deposition_date	2000-01-24
title	OVINE PGHS-1 COMPLEXED WITH SALICYL HYDROXAMIC ACID
keywords	monotopic membrane protein, 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	25.09 Å
rg_electron	23.96 Å
i0	65337200.00
molecular_weight	65112.0 kDa
excluded_volume	82191 Å³
envelope_volume	95143 Å³
shell_volume	32080 Å³
envelope_diameter	79.4 Å
shell_rg	32.10 Å
envelope_rg	24.19 Å
shape_rg	23.93 Å
total_rg	24.94 Å
total_atoms	4594
n_residues	550
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	77.1 Å
rg_real	24.97 Å
rg_real_error	0.41 Å
i0_real	6.5340e+07
i0_real_error	8.8410e+05
rg_reciprocal	25.01 Å
i0_reciprocal	65340000.0000
total_estimate	0.6980
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	31.8 Å
skewness	0.193
kurtosis	-0.403
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	10360000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 0.120; Positv: 1.000; Valcen: 0.992; Smooth: 0.945

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROSTAGLANDIN H2 SYNTHASE
formula_weight	63554.0 kDa
ec_number	1.14.99.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4594

VNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVP

Entity 2 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	2

Entity 4 non-polymer

description	ACETIC ACID SALICYLOYL-AMINO-ESTER
formula_weight	195.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

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6. Citations (1)

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length_a	98.870 Å
length_b	207.460 Å
length_c	221.980 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	3.200 Å
resolution_low	23.500 Å
r_factor	0.2250
r_work	0.2180
r_free	0.2480

fit	/app/data/saxs_computation/eb/1ebv/1ebv.fit
pddf	/app/data/pr_computation/eb/1ebv/1ebv.pr.out
profile	/app/data/saxs_computation/eb/1ebv/1ebv.dat

OVINE PGHS-1 COMPLEXED WITH SALICYL HYDROXAMIC ACID

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