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1f44

CRYSTAL STRUCTURE OF TRIMERIC CRE RECOMBINASE-LOX COMPLEX

Method: X-RAY DIFFRACTION D_max: 76.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f44
deposition_date	2000-06-07
title	CRYSTAL STRUCTURE OF TRIMERIC CRE RECOMBINASE-LOX COMPLEX
keywords	;SITE-SPECIFIC RECOMBINASE, RECOMBINATION, PROTEIN-DNA COMPLEX, TRIMERIC, THREE-WAY JUNCTION, BRANCHED DNA, Y-JUNCTION, HYDROLASE, LIGASE/DNA, LIGASE-DNA complex ;; HYDROLASE, LIGASE/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	23.43 Å
rg_electron	22.94 Å
i0	49732300.00
molecular_weight	46428.0 kDa
excluded_volume	54694 Å³
envelope_volume	69288 Å³
shell_volume	25288 Å³
envelope_diameter	79.0 Å
shell_rg	29.52 Å
envelope_rg	23.23 Å
shape_rg	22.93 Å
total_rg	23.65 Å
total_atoms	3217
n_residues	351
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	76.7 Å
rg_real	23.38 Å
rg_real_error	0.45 Å
i0_real	4.9730e+07
i0_real_error	6.5670e+05
rg_reciprocal	23.39 Å
i0_reciprocal	49730000.0000
total_estimate	0.7116
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.307
kurtosis	-0.347
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	6672000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 1.000; Sysdev: 0.223; Positv: 1.000; Valcen: 0.999; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'- D(TPAPTPAPAPCPTPTPCPGPTPAPTPAPGPC)-3') ;
formula_weight	4872.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	M
atom_count	3537

TATAACTTCGTATAGC

Entity 2 polymer

description	;DNA (5'-D(APTPAPTPGPCPTPAPTPAPCPGPAPAPGPTPTPAP*T)-3') ;
formula_weight	5842.8 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	N

ATATGCTATACGAAGTTAT

Entity 3 polymer

description	CRE RECOMBINASE
formula_weight	36561.8 kDa
mutation	Y324F
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

SDEVRKNLMDMFRDRQAFSEHTWKMLLSVCRSWAAWCKLNNRKWFPAEPEDVRDYLLYLQARGLAVKTIQQHLGQLNMLHRRSGLPRPSDSNAVSLVMRRIRKENVDAGERAKQALAFERTDFDQVRSLMENSDRCQDIRNLAFLGIAYNTLLRIAEIARIRVKDISRTDGGRMLIHIGRTKTLVSTAGVEKALSLGVTKLVERWISVSGVADDPNNYLFCRVRKNGVAAPSATSQLSTRALEGIFEATHRLIYGAKDDSGQRYLAWSGHSARVGAARDMARAGVSIPEIMQAGGWTNVNIVMNFIRNLDSETGAMVRLLEDGD

Source

organism	Enterobacteria phage P1
ncbi_taxonomy_id	10678
host_organism	Escherichia coli

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	310

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6. Citations (1)

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length_a	160.653 Å
length_b	160.653 Å
length_c	160.653 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 2 3
int_tables_number	197
crystal_system	—

resolution	2.050 Å
resolution_low	5.000 Å
r_factor	0.1760
r_work	0.1760
r_free	0.2240

fit	/app/data/saxs_computation/f4/1f44/1f44.fit
pddf	/app/data/pr_computation/f4/1f44/1f44.pr.out
profile	/app/data/saxs_computation/f4/1f44/1f44.dat

CRYSTAL STRUCTURE OF TRIMERIC CRE RECOMBINASE-LOX COMPLEX

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

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)