SAXSdb — 1crx

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1. Structure Basics

entry_id	1crx
deposition_date	1997-07-02
title	CRE RECOMBINASE/DNA COMPLEX REACTION INTERMEDIATE I
keywords	SITE-SPECIFIC RECOMBINASE, PROTEIN:DNA COMPLEX, REACTION INTERMEDIATE, COMPLEX (RECOMBINASE-DNA), REPLICATION-DNA COMPLEX; REPLICATION/DNA
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	31.43 Å
rg_electron	30.70 Å
i0	189070000.00
molecular_weight	93651.0 kDa
excluded_volume	110570 Å³
envelope_volume	144740 Å³
shell_volume	39250 Å³
envelope_diameter	105.0 Å
shell_rg	37.77 Å
envelope_rg	30.51 Å
shape_rg	30.68 Å
total_rg	31.29 Å
total_atoms	6489
n_residues	711
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	100.5 Å
rg_real	31.41 Å
rg_real_error	0.71 Å
i0_real	1.8910e+08
i0_real_error	2.6270e+06
rg_reciprocal	31.42 Å
i0_reciprocal	189100000.0000
total_estimate	0.8979
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.2 Å
skewness	0.300
kurtosis	-0.485
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	36520000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.928; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.885

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	;DNA (5'-D(TPAPTPAPAPCPTPTPCPGPTPAPTPAP*G)-3') ;
formula_weight	4583.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	6977

TATAACTTCGTATAG

Entity 2 polymer

description	;DNA (5'-D(APTPAPTPGPCPTPAPTPAPCPGPAPAPGPTPTPAP*T)-3') ;
formula_weight	5842.8 kDa
src_method	syn
entity_count	2

Polymer

type	polydeoxyribonucleotide
strand_id	D,F

ATATGCTATACGAAGTTAT

Entity 3 polymer

description	;DNA (5'-D(PAPTPAPAPCPTPTPCPGPTPAPTPAPGP*C)-3') ;
formula_weight	4568.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	E

ATAACTTCGTATAGC

Entity 4 polymer

description	Cre recombinase
formula_weight	36405.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

SDEVRKNLMDMFRDRQAFSEHTWKMLLSVCRSWAAWCKLNNRKWFPAEPEDVRDYLLYLQARGLAVKTIQQHLGQLNMLHRRSGLPRPSDSNAVSLVMRRIRKENVDAGERAKQALAFERTDFDQVRSLMENSDRCQDIRNLAFLGIAYNTLLRIAEIARIRVKDISRTDGGRMLIHIGRTKTLVSTAGVEKALSLGVTKLVERWISVSGVADDPNNYLFCRVRKNGVAAPSATSQLSTRALEGIFEATHRLIYGAKDDSGQRYLAWSGHSARVGAARDMARAGVSIPEIMQAGGWTNVNIVMNYIRNLDSETGAMVRLLED

Source

organism	Punavirus P1
ncbi_taxonomy_id	10678
host_organism	Escherichia coli BL21(DE3)

Entity 5 polymer

description	Cre recombinase
formula_weight	36485.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SDEVRKNLMDMFRDRQAFSEHTWKMLLSVCRSWAAWCKLNNRKWFPAEPEDVRDYLLYLQARGLAVKTIQQHLGQLNMLHRRSGLPRPSDSNAVSLVMRRIRKENVDAGERAKQALAFERTDFDQVRSLMENSDRCQDIRNLAFLGIAYNTLLRIAEIARIRVKDISRTDGGRMLIHIGRTKTLVSTAGVEKALSLGVTKLVERWISVSGVADDPNNYLFCRVRKNGVAAPSATSQLSTRALEGIFEATHRLIYGAKDDSGQRYLAWSGHSARVGAARDMARAGVSIPEIMQAGGWTNVNIVMNYIRNLDSETGAMVRLLED

Source

organism	Punavirus P1
ncbi_taxonomy_id	10678
host_organism	Escherichia coli BL21(DE3)

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	488

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6. Citations (1)

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length_a	107.700 Å
length_b	121.000 Å
length_c	180.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.400 Å
resolution_low	50.000 Å
r_factor	—
r_work	0.2010
r_free	0.2630

fit	/app/data/saxs_computation/cr/1crx/1crx.fit
pddf	/app/data/pr_computation/cr/1crx/1crx.pr.out
profile	/app/data/saxs_computation/cr/1crx/1crx.dat

CRE RECOMBINASE/DNA COMPLEX REACTION INTERMEDIATE I

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 (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 polymer

Polymer

Source

Entity 5 polymer

Polymer

Source

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)