STRUCTURE OF THE ADENYLATION DOMAIN OF AN NAD+ DEPENDENT LIGASE

Method: X-RAY DIFFRACTION D_max: 101.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1b04
deposition_date	1998-11-16
title	STRUCTURE OF THE ADENYLATION DOMAIN OF AN NAD+ DEPENDENT LIGASE
keywords	LIGASE, DNA REPLICATION; LIGASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	29.50 Å
rg_electron	28.81 Å
i0	82371600.00
molecular_weight	69962.0 kDa
excluded_volume	87108 Å³
envelope_volume	111400 Å³
shell_volume	33255 Å³
envelope_diameter	106.7 Å
shell_rg	34.84 Å
envelope_rg	28.74 Å
shape_rg	28.80 Å
total_rg	29.43 Å
total_atoms	4936
n_residues	621
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

▼

3. P(r) Analysis (GNOM)

dmax	101.4 Å
rg_real	29.56 Å
rg_real_error	0.95 Å
i0_real	8.2370e+07
i0_real_error	1.5570e+06
rg_reciprocal	29.54 Å
i0_reciprocal	82370000.0000
total_estimate	0.8687
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.9 Å
skewness	0.453
kurtosis	-0.125
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	13510000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.802; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.902

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (1)

▶

length_a	95.720 Å
length_b	95.720 Å
length_c	225.890 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.800 Å
resolution_low	20.000 Å
r_factor	0.2300
r_work	0.2300
r_free	0.3100

description	PROTEIN (DNA LIGASE)
formula_weight	35832.4 kDa
ec_number	6.5.1.2
mutation	K114A
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	5126

STRUCTURE OF THE ADENYLATION DOMAIN OF AN NAD+ DEPENDENT LIGASE

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Geobacillus stearothermophilus
ncbi_taxonomy_id	1422
host_organism	Escherichia coli BL21

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	190

fit	/app/data/saxs_computation/b0/1b04/1b04.fit
pddf	/app/data/pr_computation/b0/1b04/1b04.pr.out
profile	/app/data/saxs_computation/b0/1b04/1b04.dat