SAXSdb — 1ex0

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1. Structure Basics

entry_id	1ex0
deposition_date	2000-04-28
title	HUMAN FACTOR XIII, MUTANT W279F ZYMOGEN
keywords	TRANSGLUTAMINASE, BLOOD COAGULATION, mutant, W279F, oxyanion, TRANSFERASE; TRANSFERASE
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	36.61 Å
rg_electron	36.14 Å
i0	404403000.00
molecular_weight	162210.0 kDa
excluded_volume	202280 Å³
envelope_volume	252610 Å³
shell_volume	56842 Å³
envelope_diameter	122.7 Å
shell_rg	43.30 Å
envelope_rg	36.40 Å
shape_rg	36.11 Å
total_rg	36.64 Å
total_atoms	11426
n_residues	1421
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	120.0 Å
rg_real	36.53 Å
rg_real_error	0.80 Å
i0_real	4.0440e+08
i0_real_error	6.7220e+06
rg_reciprocal	36.58 Å
i0_reciprocal	404400000.0000
total_estimate	0.8916
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	44.6 Å
skewness	0.278
kurtosis	-0.433
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	110500000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.916

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	COAGULATION FACTOR XIII A CHAIN
formula_weight	83313.0 kDa
ec_number	2.3.2.13
mutation	W279F
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	12770

SETSRTAFGGRRAVPPNNSNAAEDDLPTVELQGVNLRGVNLQEFLNVTSVHLFKERWDTNKVDHHTDKYENNKLIVRRGQSFYVQIDFSRPYDPRRDLFRVEYVIGRYPQENKGTYIPVPIVSELQSGKWGAKIVMREDRSVRLSIQSSPKCIVGKFRMYVAVWTPYGVLRTSRNPETDTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFYGEVNDIKTRSWSYGQFEDGILDTCLYVMDRAQMDLSGRGNPIKVSRVGSAMVNAKDDEGVLVGSFDNIYAYGVPPSAWTGSVDILLEYRSSENPVRYGQCWVFAGVFNTFLRCLGIPARIVTNYFSAHDNDANLQMDIFLEEDGNVNSKLTKDSVWNYHCWNEAWMTRPDLPVGFGGWQAVDSTPQENSDGMYRCGPASVQAIKHGHVCFQFDAPFVFAEVNSDLIYITAKKDGTHVVENVDATHIGKLIVTKQIGGDGMMDITDTYKFQEGQEEERLALETALMYGAKKPLNTSRSMKSRSNVDMDFEVENAVLGKDFKLSITFRNNSHNRYTITAYLSANITFYTGVPKAEFKKETFDVTLEPLSFKKEAVLIQAGEYMGQLLEQASLHFFVTARINETRDVLAKQKSTVLTIPEIIIKVRGTQVVGSDMTVTVQFTNPLKETLRNVWVHLDGPGVTRPMKKMFREIRPNSTVQWEEVCRPWVSGHRKLIASMSSDSLRHVYGELDVQIQRRPSM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Saccharomyces cerevisiae

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	S-1,2-PROPANEDIOL
formula_weight	76.1 kDa
src_method	syn
entity_count	6

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1306

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6. Citations (2)

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length_a	100.540 Å
length_b	70.640 Å
length_c	133.380 Å
angle_alpha	90.00 °
angle_beta	106.08 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	19.940 Å
r_factor	—
r_work	0.1870
r_free	0.2340

fit	/app/data/saxs_computation/ex/1ex0/1ex0.fit
pddf	/app/data/pr_computation/ex/1ex0/1ex0.pr.out
profile	/app/data/saxs_computation/ex/1ex0/1ex0.dat

HUMAN FACTOR XIII, MUTANT W279F ZYMOGEN

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