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1ckq

PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAATTCGCG) COMPLEX

Method: X-RAY DIFFRACTION D_max: 77.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ckq
deposition_date	1999-04-22
title	PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAATTCGCG) COMPLEX
keywords	SEQUENCE-SPECIFIC DNA-PROTEIN COMPLEX, PROTEIN-DNA COMPLEX; PROTEIN/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	22.63 Å
rg_electron	21.52 Å
i0	22109600.00
molecular_weight	33095.0 kDa
excluded_volume	40376 Å³
envelope_volume	51032 Å³
shell_volume	20536 Å³
envelope_diameter	77.7 Å
shell_rg	27.66 Å
envelope_rg	21.87 Å
shape_rg	21.50 Å
total_rg	22.38 Å
total_atoms	2314
n_residues	274
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	77.6 Å
rg_real	22.62 Å
rg_real_error	0.69 Å
i0_real	2.2110e+07
i0_real_error	3.1780e+05
rg_reciprocal	22.63 Å
i0_reciprocal	22110000.0000
total_estimate	0.8810
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.9 Å
skewness	0.332
kurtosis	-0.280
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	2582000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.825; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	;DNA (5'-D(TPCPGPCPGPAPAPTPTPCPGPCP*G)-3') ;
formula_weight	3967.6 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B
atom_count	2465

TCGCGAATTCGCG

Entity 2 polymer

description	PROTEIN (ENDONUCLEASE)
formula_weight	30970.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

SNKKQSNRLTEQHKLSQGVIGIFGDYAKAHDLAVGEVSKLVKKALSNEYPQLSFRYRDSIKKTEINEALKKIDPDLGGTLFVSNSSIKPDGGIVEVKDDYGEWRVVLVAEAKHQGKDIINIRNGLLVGKRGDQDLMAAGNAIERSHKNISEIANFMLSESHFPYVLFLEGSNFLTENISITRPDGRVVNLEYNSGILNRLDRLTAANYGMPINSNLCINKFVNHKDKSIMLQAASIYTQGDGREWDSKIMFEIMFDISTTSLRVLGRDLFEQLTSK

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	151

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6. Citations (1)

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length_a	118.110 Å
length_b	118.110 Å
length_c	49.450 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 3 2 1
int_tables_number	150
crystal_system	—

resolution	1.850 Å
resolution_low	8.000 Å
r_factor	0.2350
r_work	0.2350
r_free	0.2860

fit	/app/data/saxs_computation/ck/1ckq/1ckq.fit
pddf	/app/data/pr_computation/ck/1ckq/1ckq.pr.out
profile	/app/data/saxs_computation/ck/1ckq/1ckq.dat

PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAATTCGCG) 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 (3)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)