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1cbk

7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE

Method: X-RAY DIFFRACTION D_max: 66.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cbk
deposition_date	1999-02-26
title	7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE
keywords	PYROPHOSPHOKINASE, TRANSFERASE; TRANSFERASE
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	21.23 Å
rg_electron	20.37 Å
i0	23120500.00
molecular_weight	37201.0 kDa
excluded_volume	46853 Å³
envelope_volume	55107 Å³
shell_volume	22516 Å³
envelope_diameter	67.9 Å
shell_rg	26.97 Å
envelope_rg	20.33 Å
shape_rg	20.34 Å
total_rg	21.34 Å
total_atoms	2620
n_residues	320
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	66.8 Å
rg_real	21.16 Å
rg_real_error	0.30 Å
i0_real	2.3120e+07
i0_real_error	2.7530e+05
rg_reciprocal	21.18 Å
i0_reciprocal	23120000.0000
total_estimate	0.7512
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.292
kurtosis	-0.296
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	6416000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 0.999; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE)
formula_weight	18320.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3024

MITAYIALGSNLNTPVEQLHAALKAISQLSNTHLVTTSSFYKSKPLGPQDQPDYVNAVAKIETELSPLKLLDELQRIENEQGRVRLRRWGERTLDLDILLYGNEIIQNERLTIPHYDMHNREFVIVPLFEIASDLVLPNSQIITELVKQFADHKMIKLNP

Source

organism	Haemophilus influenzae
ncbi_taxonomy_id	727
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN
formula_weight	209.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	404

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6. Citations (1)

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length_a	112.775 Å
length_b	50.791 Å
length_c	70.893 Å
angle_alpha	90.00 °
angle_beta	101.73 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.020 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1620
r_free	0.2130

fit	/app/data/saxs_computation/cb/1cbk/1cbk.fit
pddf	/app/data/pr_computation/cb/1cbk/1cbk.pr.out
profile	/app/data/saxs_computation/cb/1cbk/1cbk.dat

7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE

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