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1f0r

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815

Method: X-RAY DIFFRACTION D_max: 65.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f0r
deposition_date	2000-05-17
title	CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815
keywords	Protein-inhibitor complex, HYDROLASE; HYDROLASE
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	19.67 Å
rg_electron	18.46 Å
i0	19602300.00
molecular_weight	32324.0 kDa
excluded_volume	39898 Å³
envelope_volume	46223 Å³
shell_volume	20535 Å³
envelope_diameter	65.7 Å
shell_rg	25.34 Å
envelope_rg	18.91 Å
shape_rg	18.43 Å
total_rg	19.50 Å
total_atoms	2259
n_residues	285
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	65.9 Å
rg_real	19.55 Å
rg_real_error	0.37 Å
i0_real	1.9600e+07
i0_real_error	2.4480e+05
rg_reciprocal	19.57 Å
i0_reciprocal	19600000.0000
total_estimate	0.7999
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.204
kurtosis	-0.332
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	6715000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.799; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	COAGULATION FACTOR XA
formula_weight	28550.6 kDa
ec_number	3.4.21.6
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2429

IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK

Entity 2 polymer

description	COAGULATION FACTOR XA
formula_weight	15210.8 kDa
ec_number	3.4.21.6
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

EEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLER

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE
formula_weight	453.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	170

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6. Citations (1)

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length_a	56.510 Å
length_b	72.228 Å
length_c	77.912 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	2.100 Å
resolution_low	20.000 Å
r_factor	0.2160
r_work	0.2160
r_free	0.2630

fit	/app/data/saxs_computation/f0/1f0r/1f0r.fit
pddf	/app/data/pr_computation/f0/1f0r/1f0r.pr.out
profile	/app/data/saxs_computation/f0/1f0r/1f0r.dat

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)