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1f0c

STRUCTURE OF THE VIRAL SERPIN CRMA

Method: X-RAY DIFFRACTION D_max: 69.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f0c
deposition_date	2000-05-15
title	STRUCTURE OF THE VIRAL SERPIN CRMA
keywords	Apoptosis, caspase inhibitor, protease inhibitor, serpin, Viral protein; VIRAL PROTEIN
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	22.36 Å
rg_electron	21.16 Å
i0	23094800.00
molecular_weight	37217.0 kDa
excluded_volume	46696 Å³
envelope_volume	53344 Å³
shell_volume	21508 Å³
envelope_diameter	70.3 Å
shell_rg	27.28 Å
envelope_rg	21.31 Å
shape_rg	21.15 Å
total_rg	21.98 Å
total_atoms	2609
n_residues	333
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	69.8 Å
rg_real	22.36 Å
rg_real_error	0.38 Å
i0_real	2.3090e+07
i0_real_error	2.8240e+05
rg_reciprocal	22.36 Å
i0_reciprocal	23090000.0000
total_estimate	0.9018
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.4 Å
skewness	0.355
kurtosis	-0.434
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	4905000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ICE INHIBITOR
formula_weight	34021.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2776

MDIFREIASSMKGENVFISPPSISSVLTILYYGANGSTAEQLSKYVEKEADKNKDDISFKSMNKVYGRYSAVFKDSFLRKIGDNFQTVDFTDCRTVDAINKCVDIFTEGKINPLLDEPLSPDTCLLAISAVYFKAKWLMPFEKEFTSDYPFYVSPTEMVDVSMMSMYGEAFNHASVKESFGNFSIIELPYVGDTSMVVILPDNIDGLESIEQNLTDTNFKKWCDSMDAMFIDVHIPKFKVTGSYNLVDALVKLGLTEVFGSTGDYSNMCNSDVSVDAMIHKTYIDVNEEYTEAAAATCALVADCA

Source

organism	Cowpox virus
ncbi_taxonomy_id	10243
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	ICE INHIBITOR
formula_weight	4106.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

STVTNEFCADHPFIYVIRHVDGKILFVGRYCSPTTN

Source

organism	Cowpox virus
ncbi_taxonomy_id	10243
host_organism	Escherichia coli BL21(DE3)

Entity 3 non-polymer

description	2,3-DIHYDROXY-1,4-DITHIOBUTANE
formula_weight	154.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	167

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6. Citations (1)

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length_a	49.203 Å
length_b	92.455 Å
length_c	100.454 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	2.260 Å
resolution_low	500.000 Å
r_factor	—
r_work	0.2280
r_free	0.2720

fit	/app/data/saxs_computation/f0/1f0c/1f0c.fit
pddf	/app/data/pr_computation/f0/1f0c/1f0c.pr.out
profile	/app/data/saxs_computation/f0/1f0c/1f0c.dat

STRUCTURE OF THE VIRAL SERPIN CRMA

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)