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12hh

Ancestral Reconstruction of a Homing Endonuclease

Method: X-RAY DIFFRACTION D_max: 95.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	12hh
deposition_date	2026-04-06
last_revision	2026-04-15
title	Ancestral Reconstruction of a Homing Endonuclease
keywords	Reconstruction, Evolution, DNA BINDING PROTEIN; DNA BINDING PROTEIN
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	24.95 Å
rg_electron	24.08 Å
i0	54479200.00
molecular_weight	48286.0 kDa
excluded_volume	56339 Å³
envelope_volume	69209 Å³
shell_volume	25192 Å³
envelope_diameter	97.0 Å
shell_rg	30.22 Å
envelope_rg	24.31 Å
shape_rg	24.02 Å
total_rg	24.80 Å
total_atoms	3338
n_residues	347
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	95.0 Å
rg_real	25.19 Å
rg_real_error	0.94 Å
i0_real	5.4480e+07
i0_real_error	7.8820e+05
rg_reciprocal	25.14 Å
i0_reciprocal	54480000.0000
total_estimate	0.7728
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.615
kurtosis	-0.003
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	8886000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.502; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.536; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	aHE15
formula_weight	33546.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3401

MGLNPWVVTGFVDAEGSFMISVRKNNKSSTGWSTQLRFQISLHKKDRSLLEQIQSYFGVGSIRKSGDNSVSFRIESLEDLKVVINHFDKYPLITQKHGDYLLFKQAFELMKNKEHLTIEGLKKIVAIKASLNKGLSDELKEAFPDIVPVTRPLVENKTIPDPEWLAGFTSGEGCFFITISKSPSSKLGVQVQLVFSLTQHTRDEALMNSLISYLGCGNIKIKKNSKNSWLDFVVTKFSDINEKIIPFFNQHKILGVKSQDFEDWCKAAELIKDKKHLTPEGLDEIRKIKAGMNKGR

Source

organism	synthetic construct
ncbi_taxonomy_id	32630
host_organism	Escherichia coli

Entity 2 polymer

description	DNA (26-MER)
formula_weight	7956.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B

GGTTTACCGATATACACCCCTAAGAG

Entity 3 polymer

description	DNA (26-MER)
formula_weight	8018.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C

CCTCTTAGGGGTGTATATCGGTAAAC

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	63

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6. Citations (1)

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length_a	53.891 Å
length_b	54.040 Å
length_c	164.825 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	2.370 Å
resolution_low	45.190 Å
r_factor	0.2355
r_work	0.2307
r_free	0.2785

fit	/app/data/saxs_computation/2h/12hh/12hh.fit
pddf	/app/data/pr_computation/2h/12hh/12hh.pr.out
profile	/app/data/saxs_computation/2h/12hh/12hh.dat

Ancestral Reconstruction of a Homing Endonuclease

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

Source

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)